102-06-7

Name 1,3-Diphenylguanidine
CAS 102-06-7
EINECS(EC#) 203-002-1
Molecular Formula C13H13N3
MDL Number MFCD00001758
Molecular Weight 211.26
MOL File 102-06-7.mol
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Chemical Properties

Appearance white or cream powder with a slight odour
Melting point  146-148 °C(lit.)
Boiling point  170°C
density  1,13 g/cm3
vapor pressure  0Pa at 25℃
refractive index  1.6000 (estimate)
Fp  170°C
storage temp.  Store below +30°C.
solubility  Soluble in alcohol, chloroform, hot benzene, hot toluene, and dilute mineral acids
form  Powder
pka pK1:10.12 (25°C)
color  Pale Cream
Odor wh. powd., bitter taste, sl. odor
PH 10.2 (10g/l, H2O)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents. Moisture sensitive.
Water Solubility  slightly soluble
Merck  14,3324
BRN  1875653
Henry's Law Constant 1.4×106 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
Contact allergens
Diphenylguanidine is a rubber sensitizer that can induce immediate-type reactions and delayed-type contact allergy. It was formerly contained in “carba mix.” Occupational exposure concerns finished rubber items and the rubber manufacturing industry. The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and the building industry.
InChIKey OWRCNXZUPFZXOS-UHFFFAOYSA-N
SMILES N=C(Nc1ccccc1)Nc2ccccc2
LogP 2.42 at 21.1℃
CAS DataBase Reference 102-06-7(CAS DataBase Reference)
NIST Chemistry Reference Guanidine, n,n'-diphenyl-(102-06-7)
EPA Substance Registry System 102-06-7(EPA Substance)
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Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H301-H315-H319-H335-H361f-H411
Precautionary statements  P202-P261-P273-P301+P310-P302+P352-P305+P351+P338
Hazard Codes  Xn,N
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R62:Possible risk of impaired fertility.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  MF0875000
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29252000
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Poison by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx,.
Hazardous Substances Data 102-06-7(Hazardous Substances Data)
Toxicity
LD50 oral in rabbit: 250mg/kg

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