Introduction：Basic information about CAS 86-29-3|2,2-Diphenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,2-Diphenylacetonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog
Research Areas >>Others
In Vitro
二苯基乙腈用作除草剂和工业中间体。
Chemical & Physical Properties
Density
1.1±0.1 g/cm3
Boiling Point
322.3±0.0 °C at 760 mmHg
Melting Point
71-73 °C(lit.)
Molecular Formula
C14H11N
Molecular Weight
193.24
Flash Point
151.6±5.7 °C
Exact Mass
193.089142
PSA
23.79000
LogP
3.30
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.585
InChIKey
NEBPTMCRLHKPOB-UHFFFAOYSA-N
SMILES
N#CC(c1ccccc1)c1ccccc1
Water Solubility
INSOLUBLE
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
AL9800000
CHEMICAL NAME :
Acetonitrile, diphenyl-
CAS REGISTRY NUMBER :
86-29-3
BEILSTEIN REFERENCE NO. :
1911160
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C14-H11-N
MOLECULAR WEIGHT :
193.26
WISWESSER LINE NOTATION :
NCYR&R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RREVAH Residue Reviews. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1962- Volume(issue)/page/year: 10,97,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04134
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,155,1971 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
61 gm/kg/78W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
464 mg/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159
Safety Information
Personal Protective Equipment
dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes
Xi:Irritant
Risk Phrases
R36/37/38
Safety Phrases
S26-S36-S37/39
RIDADR
NONH for all modes of transport
WGK Germany
2
RTECS
AL9800000
HS Code
2926909090
Customs
HS Code
2926909090
Summary
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
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