Hexadecanenitrile

HCID 69424CAS 629-79-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCC#N
InChIKey
WGXGAUQEMYSVJM-UHFFFAOYSA-N
Molecular formula
C16H31N
Average molar mass
237.42 g/mol
Monoisotopic mass
237.24564999

Overview

Hexadecanenitrile is a nitrile.

Names & identifiers

Preferred name
Hexadecanenitrile
IUPAC
hexadecanenitrile
English name
hexadecanenitrile
Molecular formula
C16H31N
Molecular weight
237.42

Names & synonyms

HexadecanenitrilePalmitonitrileNSC 2137EINECS 211-110-5AI3-11234NU03440G5DNSC-2137PALMITIC ACID NITRILEUNII-NU03440G5DDTXSID5027271Palmitonitrile (8CI)RefChem:145956
Show more names
DTXCID607271WGXGAUQEMYSVJM-UHFFFAOYSA-N629-79-81-CyanopentadecanePalmitic acid, nitrileMFCD01310359SCHEMBL346535SCHEMBL4755745

Database identifiers

CAS
629-79-8
PubChem CID
69424
DTXSID
DTXSID5027271
ChEMBL
CHEMBL1952291
ChEBI
CHEBI:219523
UNII
NU03440G5D
EC Number
211-110-5
Nikkaji
J99.781A

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
13
Heavy atoms
17

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty nitriles [FA09]
SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
31.5 °C · 31.5°C
Boiling point
333.05 °C · 333.05°C
Density
0.8303 · 0.8303
refractive index
1.445 · 1.4450
storage temp.
Sealed in dry,Room Temperature
LogP
6.99 · 6.990 (est)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexadecanenitrile: ACTIVE

Suppliers24 total

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

Related reactions

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