6-Bromohexanenitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
6621-59-6- Standard SMILES
N#CCCCCCBr- InChIKey
PHOSWLARCIBBJZ-UHFFFAOYSA-N- Molecular formula
- C6H10BrN
- Average molar mass
- 176.05 g/mol
- Monoisotopic mass
- 174.99966142
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 propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 23.8 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
61 records
Compound notes
Loading…