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95-14-7

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Identification

Name
1H-Benzotriazole
CAS
95-14-7
Synonyms
1,2,3-1H-BENZOTRIAZOLE
1,2,3-BENZOTRIAZOLE
1H-1,2,3-BENZOTRIAZOLE
1H-BENZOTRIAZOLE
AKOS 92210
AMINOAZOPHENYLENE
AZIMIDOBENZENE
BENZOTRIAZOLE
COBRATEC(R) 99
1,2,3-benzotriazole-1h-benzotriazole
1,2,3-Benztriazole
1,2,3-Triaza-1H-indene
1,2,3-Triazaindene
1,2,-aminozophenylene
1,2-Aminoazophenylene
1,2-Aminozophenylene
1h-benzo
2,3-diazaindol
2,3-Diazaindole
2,3-Diazaindole 1,2,3-triazaindene
EINECS(EC#)
202-394-1
Molecular Formula
C6H5N3
MDL Number
MFCD00005699
Molecular Weight
119.12
MOL File
95-14-7.mol

Chemical Properties

Appearance
yellow to beige solid
Melting point 
97-99 °C(lit.)

mp 
97-99 °C(lit.)

Boiling point 
204 °C (15 mmHg)
bp 
204 °C (15 mmHg)
density 
1,36 g/cm3
vapor density 
4.1 (vs air)

vapor pressure 
0.04 mm Hg ( 20 °C)

refractive index 
1.5589 (estimate)
Fp 
170 °C
storage temp. 
Store below +30°C.
solubility 
19g/l
form 
Powder, Granules, Crystals, Needles or Flakes
pka
1.6(at 20℃)
color 
White to yellow-beige
PH
6.0-7.0 (100g/l, H2O, 20℃)suspension
Odor
Slight characteristic odor
Stability:
Stable, but may be light sensitive. Incompatible with strong oxidizing agents, heavy metals.
explosive limit
2%
Water Solubility 
25 g/l in water (20 ºC)
Merck 
14,1108
BRN 
112133
InChIKey
QRUDEWIWKLJBPS-UHFFFAOYSA-N
CAS DataBase Reference
95-14-7(CAS DataBase Reference)
NIST Chemistry Reference
1H-Benzotriazole(95-14-7)
EPA Substance Registry System
95-14-7(EPA Substance)

Safety Data

Hazard Codes 
Xn,Xi,F
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
R36:Irritating to the eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R5:Heating may cause an explosion.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR 
2811
WGK Germany 
1

RTECS 
DM1225000

Autoignition Temperature
400 °C
Hazard Note 
Harmful/Irritant
TSCA 
Yes
HS Code 
29339990
Hazardous Substances Data
95-14-7(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 560 mg/kg LD50 dermal Rabbit > 2000 mg/kg

Raw materials And Preparation Products

Hazard Information

General Description
White to light tan crystals or white powder. No odor.
Reactivity Profile
The triazoles are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type substitution to the triazole ring. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives.
Air & Water Reactions
Dust may form an explosive mixture in air. Slightly soluble in water.
Hazard
Highly toxic by ingestion. May explode under vacuum distillation.
Health Hazard
ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. This compound can react violently during vacuum distillation.
Fire Hazard
Flash point data are not available for this compound. 1,2,3-BENZOTRIAZOLE(95-14-7) is probably combustible.
Chemical Properties
yellow to beige solid
Uses
Benzotriazole (BT) is an anticorrosive agent well known for its use in aircraft deicing and antifreeze fluids but also used in dishwasher detergents. in vivo.
Uses
anticorrosive agent in cooling fluids fuels, photographic development, antifreeze, dry cleaning, art restoration; tarnish remover and protective coatings in construction industry.
Benzotriazole is used as a component of aircraft de-icing fluid, pickling inhibitor in boiler scale removal, restrainer, developer and antifogging agent in photographic emulsions, corrosion inhibitor for copper, chemical intermediate for dyes, in pharmaceuticals, and as fungicide. (HSDB 1998).
Benzotriazole(BTA), ethylenediamine tetraaceticacid(EDTA), and potassium iodide(KI) were used for preparing the polishing slurries.
Definition
ChEBI: The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.
Synthesis Reference(s)
The Journal of Organic Chemistry, 27, p. 185, 1962 DOI: 10.1021/jo01048a046
Safety Profile
Poison by intravenous route.Moderately toxic by ingestion and intraperitoneal routes.Questionable carcinogen with experimental tumorigenicdata. Mutation data reported. May detonate at 220°C or during vacuum distillation. When heated to decompositionit
Potential Exposure
Because benzotriazoles are used in large quantities as a corrosion inhibitor, it is mainly through this type of use that benzotriazoles become an environmental contaminant. As a corrosion inhibitor and fire retardant, they are used in antifreeze in concentrations of 0.01-2.0% and in airplane deicing/antiicing fluids in unknown concentrations, up to 10% (Cancilla et al.,1997). Used antifreeze may leak or be poured down drains and thence enters the environment. Also, an estimated 80% of aircraft deicing/anti-icing fluids are deposited on the ground due to spray drift, jet blast, and wind shear during taxiing and takeoff, according to a recent study (Hartwell et al., 1995).
Carcinogenicity
Chronic (2-year) feeding studies were conducted. Rats were given 0, 6700, or 12,000 ppm in feed for 78 weeks and held for an additional 26 weeks. Mice were given 0, 11,700, or 23,500 ppm in feed in 104 weeks. The authors concluded that under the conditions shown in this study, there were no convincing evidence that 1-H-benzotriazole was carcinogenic in rats or mice.
Purification Methods
1,2,3-Benzotriazole crystallises from toluene, CHCl3, Me2NCHO or a saturated aqueous solution, and is dried at room temperature or in a vacuum oven at 65o. Losses are less if the material is distilled in a vacuum. CAUTION: may EXPLODE during distillation; necessary precautions must be taken. [Damschroder & Peterson Org Synth Coll Vol III 106 1955, Beilstein 26 III/IV 93.]
Toxicity evaluation
According to a 1977 EPA report, benzotriazole is considered to be of very low toxicity and a low health hazard to humans. In the same EPA report, two benzotriazole derivatives were reported to be mutagenic in bacterial systems. A year later, NIH published a report that there was no convincing evidence that the compound is carcinogenic (NIH, 1978). It is, however, more recently well established that 1-amino benzotriazole, with an amino group attached to one of the ring nitrogens, is a potent mechanism-based inhibitor of cytochrome P-450s via a benzyne intermediate (Ortiz de Montellano and Mathews, 1981), indicating that benzotriazoles as a class may interact with the P-450s. The P450s are important both for detoxifying a broad range of xenobiotics and for activating many compounds to carcinogens in mammalian systems.

Material Safety Data Sheet(MSDS)

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