Benzenepropanenitrile, a-phenyl

Modify Date: 2026-07-01 17:56:44

Benzenepropanenitrile, a-phenyl Structure
Benzenepropanenitrile, a-phenyl structure
Common Name Benzenepropanenitrile, a-phenyl
CAS Number 3333-14-0 Molecular Weight 207.27000
Density 1.07g/cm3 Boiling Point 330.8ºC at 760mmHg
Molecular Formula C15H13N Melting Point N/A
MSDS N/A Flash Point 162.7ºC

 Names

Name 2,3-diphenylpropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.07g/cm3
Boiling Point 330.8ºC at 760mmHg
Molecular Formula C15H13N
Molecular Weight 207.27000
Flash Point 162.7ºC
Exact Mass 207.10500
PSA 23.79000
LogP 3.53648
Index of Refraction 1.584
InChIKey DRONDEZXOJEUGU-UHFFFAOYSA-N
SMILES N#CC(Cc1ccccc1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG1700000
CHEMICAL NAME :
Propionitrile, 3,3-diphenyl-
CAS REGISTRY NUMBER :
3333-14-0
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H13-N
MOLECULAR WEIGHT :
207.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 46,174,1983

 Safety Information

HS Code 2926909090

 Synthetic Route

 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%

 Benzenepropanenitrile, a-phenylBioassay

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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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 Synonyms

2,3-Diphenylpropiononitrile
2,3-diphenylpropanenirrile
Propionitrile,3,3-diphenyl
EINECS 222-064-0
2,3-diphenyl-propylnitrile
2,3-diphenylpropionitrile
Benzylphenylacetonitrile
2,3-Diphenyl-propionitril
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