Basic information
- CAS
54971-26-5- Standard SMILES
CCCCC(Br)C(=O)Br- InChIKey
CSFUYRGXBNPTSR-UHFFFAOYSA-N- Molecular formula
- C6H10Br2O
- Average molar mass
- 257.95 g/mol
- Monoisotopic mass
- 255.90984
Names & identifiers
- Preferred name
- 2-Bromohexanoyl bromide
- IUPAC
- 2-bromohexanoyl bromide
- English name
- 2-BROMOHEXANOYL BROMIDE
- Molecular formula
- C6H10Br2O
- Molecular weight
- 257.95
Names & synonyms
2-Bromohexanoyl bromide54971-26-5EINECS 259-417-3DTXSID10970321Hexanoyl bromide, 2-bromo-RefChem:85879DTXCID301397853259-417-32-BromohexanoylbromideSCHEMBL9310242-Bromohexanoyl bromide, 95%DB-052670
Show more names
A-BROMOCAPROYL BROMIDE2-Bromohexanoic acid bromide2-BROMOHEXANOYL BROMIDE 97+%
NS00059358
Database identifiers
- CAS
54971-26-5- PubChem CID
- 3016923
- DTXSID
DTXSID10970321- EC Number
- 259-417-3
- Nikkaji
- J326.713J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Boiling point
- 85 · 85-90 °C12 mm Hg(lit.)
- Density
- 1.628 g/mL · 1.628 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information2-Bromohexanoyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory Information2-Bromohexanoyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34-36/37
- Signal word
Chemistry & industry
Suppliers6 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
1 records
Compound notes
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