CAS 2243-27-8 Nonanenitrile (HCID 16715)

Names & identifiers

Preferred name: Nonanenitrile
IUPAC: nonanenitrile
English name: N-OCTYL CYANIDE
Molecular formula: C9H17N
Molecular weight: 139.24

Names & synonyms

Nonanenitrilen-Octyl cyanide2243-27-8Octyl cyanidePelargonitrilePelargononitrileNONANONITRILEn-Nonanenitrilen-NonanonitrileNonanitrile1-Cyanooctane1-Octyl cyanide

Show more names

NITRILE C91-CyanoctanOctylcyanidNonanenitriLnonyl nitrile

6Q10KP3P20NSC-5560DTXSID6022183RefChem:166451DTXCID002183218-808-9n-Octylcyaniden-Octanenitrile

Database identifiers

CAS: 2243-27-8
PubChem CID: 16715
DTXSID: DTXSID6022183
UNII: 6Q10KP3P20
EC Number: 218-808-9
Nikkaji: J46.553D

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 98.5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesBoiling point

LogP3.12

Density0.8178 @ 20°C

Boiling Point224.4 °C @760 [mm Hg]

Melting Point-34.2 °C

Physicochemical properties

Melting point: -35 °C · -35 °C
Boiling point: 224 °C · 224 °C(lit.)
Density: 0.786 g/mL · 0.786 g/mL at 25 °C(lit.)
vapor density: 4.6 · 4.6 (vs air)
refractive index: 20 · n20/D 1.426(lit.)
Flash point: 178 °F · 178 °F
Water Solubility: Insoluble in water
form: clear liquid
color: Colorless to Light orange to Yellow
BRN: 1746339 · 1746339
Henry's Law Constant: 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: 1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
InChIKey: PLZZPPHAMDJOSR-UHFFFAOYSA-N
SMILES: CCCCCCCCC#N
CAS DataBase Reference: 2243 · 2243-27-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 Q10KP3P20 · 6Q10KP3P20
EPA Substance Registry System: Nonanenitrile (2243-27-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 · P210e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: N
Risk Statements: 51 · 51/53
Safety Statements: 61 · 61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
RTECS: 6606000 · RA6606000
TSCA: TSCA listed
HS Code: 2926.9 · 2926.90.5050
HazardClass: 6 · 6.(b)
PackingGroup: III
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 50 orl-mus: · LD50 orl-mus: 2059 mg/kg ARTODN 55,47,84

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

Hazards SummarySee NITRILES.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

3.4 [mg/m3]

37 [mg/m3]

220 [mg/m3]

Toxicology

Adverse EffectsOther Poison - Chemical Asphyxiant

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 2
tsca: TSCA listed
rtecs: RA6606000
ridadr: UN 3077 9/PG 3
hs_code: 2926.90.5050
Toxicity: LD50 orl-mus: 2059 mg/kg ARTODN 55,47,84
risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: N
safety_code: 61
hazard_class: 6.(b)
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H227-H315-H319
Precautionary statements: P210e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationNonanenitrile: INACTIVE

Applications

UsesNonanenitrile was used as an organic nitrogen standard in the determination of a quantitative method for the speciation of ON within ambient atmospheric aerosol.