CAS 935-44-4 1-Phenylcyclopropanecarbonitrile (HCID 70288)

Names & identifiers

Preferred name: 1-Phenylcyclopropanecarbonitrile
IUPAC: 1-phenylcyclopropane-1-carbonitrile
English name: 1-Phenyl-1-cyclopropanecarbonitrile
Molecular formula: C10H9N
Molecular weight: 143.19

Names & synonyms

1-Phenylcyclopropanecarbonitrile935-44-41-Phenyl-1-cyclopropanecarbonitrile1-Cyano-1-phenylcyclopropane1-Phenylcyclopropyl cyanide1-Phenyl-cyclopropanecarbonitrile1-PhenylcyclopropanenitrileAE4DYL9333EINECS 213-304-5NSC-126430DTXSID80239452NSC 126430

Show more names

1-Phenylcyclopropan-carbonitrile1-Phenyl-1-cyclopeopanecarbonitrile1-phenyl-1-cyclopropyl methylonitrile1-Phenyl-1-cyclopropanecarbonitrile,97%

RefChem:76992DTXCID00161943213-304-5ZHFURHRJUWYDKG-UHFFFAOYSA-N1-phenylcyclopropane-1-carbonitrileCyclopropanecarbonitrile, 1-phenyl-MFCD00001270NSC126430

Database identifiers

CAS: 935-44-4
PubChem CID: 70288
DTXSID: DTXSID80239452
UNII: AE4DYL9333
EC Number: 213-304-5
Nikkaji: J236.483B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 188

Physicochemical properties

Boiling point: 133 · 133-137 °C30 mm Hg(lit.)
Density: 1 g/mL · 1 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.539(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1 · 1.000
color: Clear colorless to slightly yellow
InChI: InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey: ZHFURHRJUWYDKG-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(C#N)CC1
FDA UNII: 4 DYL9333 · AE4DYL9333
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
RIDADR: 3276 · UN3276
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
HS Code: 29269095 · 29269095
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (97.6%)；Acute Tox. 4 (100%)

Safety data

wgk: 3
ridadr: UN3276
hs_code: 29269095
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
hazard_class: 6.1
Hazard statements: H302-H315-H319-H332-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P280-P305+P351+P338