95-16-9

Name Benzothiazole
CAS 95-16-9
EINECS(EC#) 202-396-2
Molecular Formula C7H5NS
MDL Number MFCD00005775
Molecular Weight 135.19
MOL File 95-16-9.mol

Chemical Properties

Appearance yellow liquid with an unpleasant odour
Melting point  2 °C (lit.)
Boiling point  231 °C (lit.)
density  1.238 g/mL at 25 °C(lit.)
vapor density  4.66 (vs air)
vapor pressure  34 mm Hg ( 131 °C)
FEMA  3256
refractive index  n20/D 1.642(lit.)
Fp  >230 °F
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  3g/l
form  Liquid
pka 0.85±0.10(Predicted)
color  Clear yellow-brown to brown
Odor odor of quinoline, sltly water-sol
Stability: Stable-regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitrogen oxides, carbon monoxide, carbon dioxide, sulphur oxides.
biological source synthetic
explosive limit 0.9-8.2%(V)
Odor Type sulfurous
Water Solubility  slightly soluble
Detection Methods GC
JECFA Number 1040
Merck  14,1107
BRN  109468
Henry's Law Constant 2.7×101 mol/(m3Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N
SMILES c1ccc2scnc2c1
LogP 2.01
CAS DataBase Reference 95-16-9(CAS DataBase Reference)
NIST Chemistry Reference Benzothiazole(95-16-9)
EPA Substance Registry System 95-16-9(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301+H311-H319
Precautionary statements  P264-P270-P280-P301+P310-P302+P352+P312-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  2810
WGK Germany  2
RTECS  DL0875000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  29342080
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Eye Irrit. 2
Hazardous Substances Data 95-16-9(Hazardous Substances Data)
Toxicity
LD50 i.v. in mice: 95±3 mg/kg (Domino)

Hazard Information

Material Safety Data Sheet(MSDS)

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