6-Bromohexanenitrile (HCID 81093)

Names & identifiers

Preferred name: 6-Bromohexanenitrile
IUPAC: 6-bromohexanenitrile
English name: 6-Bromohexanenitrile
Molecular formula: C6H10BrN
Molecular weight: 176.05

Names & synonyms

6-Bromohexanenitrile6-BromohexanonitrileHexanenitrile, 6-bromo-T2AX3BGU9ZEINECS 229-570-0NSC 59712NSC-59712DTXSID9064421PHOSWLARCIBBJZ-UHFFFAOYSA-RefChem:104329DTXCID3044758InChI=1/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2

Show more names

6-bromo-hexanenitril6-Bromocapronitrile,97%6-Bromohexanenitrile,97%6-Bromohexanenitrile,95%6-BROMOHEXANONITRILE FOR SYNTHESIS

PHOSWLARCIBBJZ-UHFFFAOYSA-N6621-59-66-Bromocapronitrile5-Bromopentyl cyanideMFCD00013834C6H10BrNNSC597126-Bromo-hexanenitrile

Database identifiers

CAS: 6621-59-6
PubChem CID: 81093
DTXSID: DTXSID9064421
UNII: T2AX3BGU9Z
EC Number: 229-570-0
Nikkaji: J149.967J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 81.8

Physicochemical properties

Boiling point: 134 °C/13 · 134 °C/13 mmHg (lit.)
Density: 1.328 g/mL · 1.328 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.477(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Methanol (Slightly)
form: Oil
color: Colourless
Specific Gravity: 1.328 · 1.328
BRN: 1744172 · 1744172
Exposure limits: 25 mg/m3 · NIOSH: IDLH 25 mg/m3
InChI: InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey: PHOSWLARCIBBJZ-UHFFFAOYSA-N
SMILES: C(#N)CCCCCBr
CAS DataBase Reference: 6621 · 6621-59-6(CAS DataBase Reference)
FDA UNII: 2 AX3BGU9Z · T2AX3BGU9Z
EPA Substance Registry System: 6 · Hexanenitrile, 6-bromo- (6621-59-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information6-Bromohexanonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29269090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexanenitrile, 6-bromo-: ACTIVE

Applications · 2 items

Uses6-Bromohexanenitrile (6-Bromocapronitrile, 6-Bromohexanonitrile) is suitable reagent used in the synthesis of (5-cyanopentyl)zinc(II) bromide, an organozinc reagent. It may be used in the synthesis of the following:6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)hexanenitrile.dimethyl 6,6′-dithiobiscaproimidate, a long-chain dithiobisimidate.N-benzyloxy-(4-cyanopentyl)-carbamic acid ethyl ester, a N-benzyloxy carbamate derivative.1-hetarylsulfanyl-ω-cyanoalkanes.

General Description6-Bromohexanenitrile (6-Bromohexanonitrile) is an ω-bromoalkanonitrile. Friedel Crafts alkylation of 6-bromohexanenitrile with benzene has been studied.