1-Phenylcyclobutanecarbonitrile

HCID 84400

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Basic information

CAS: 14377-68-5
Standard SMILES: N#CC1(c2ccccc2)CCC1
InChIKey: DHIDUDPFTZJPCQ-UHFFFAOYSA-N
Molecular formula: C11H11N
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.08914935

Names & identifiers

Preferred name: 1-Phenylcyclobutanecarbonitrile
IUPAC: 1-phenylcyclobutane-1-carbonitrile
English name: 1-Phenylcyclobutanecarbonitrile
Molecular formula: C11H11N
Molecular weight: 157.21

Names & synonyms

1-Phenylcyclobutanecarbonitrile14377-68-5Cyclobutanecarbonitrile, 1-phenyl-QUW28NRN8ZEINECS 238-351-9DTXSID90162540NSC 125697NSC-125697RefChem:76983DTXCID5085031238-351-9DHIDUDPFTZJPCQ-UHFFFAOYSA-N

Show more names

1-Phenylcyclobutanecarbonitrile>1-Phenylcyclobutanecarbonitrile,95%1-PHENYLCYCLOBUTANECARBONITRILE 95%1-Phenylcyclobutanecarbonitrile, 95% 5GR1-Phenylcyclobutanecarbonitrile, 95% 25GR

1-phenylcyclobutane-1-carbonitrileMFCD000192581-phenyl-1-cyclobutanecarbonitrileAKOS005257769DS-1580FS-2610Z3618829241-Phenyl-cyclobutanecarbonitrile

Database identifiers

CAS: 14377-68-5
PubChem CID: 84400
DTXSID: DTXSID90162540
UNII: QUW28NRN8Z
EC Number: 238-351-9
Nikkaji: J126.336F

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 85 °C/0.3mmHg · 85°C/0.3mmHg(lit.)
Density: 1.03 · 1.03
refractive index: 1.5313 · 1.5313-1.5333
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Clear light yellow
FDA UNII: 28 NRN8Z · QUW28NRN8Z
NIST Chemistry Reference: 1 · Cyclobutanecarbonitrile, 1-phenyl-(14377-68-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26
HS Code: 29269095 · 29269095

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29269095
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501