Basic information
- CAS
2482-57-7- Standard SMILES
CCC(O)CBr- InChIKey
DMRXISNUOWIOKV-UHFFFAOYSA-N- Molecular formula
- C4H9BrO
- Average molar mass
- 153.02 g/mol
- Monoisotopic mass
- 151.98367701
Names & identifiers
- Preferred name
- 1-Bromo-2-butanol
- IUPAC
- 1-bromobutan-2-ol
- English name
- 1-BROMO-2-BUTANOL
- Molecular formula
- C4H9BrO
- Molecular weight
- 153.02
Names & synonyms
1-Bromo-2-butanol2-Butanol, 1-bromo-DTXSID30334264RefChem:430251DTXCID402853542482-57-71-bromobutan-2-ol1,2-Butane BromohydrinMFCD00059883SCHEMBL538316AKOS006228013B0932
Show more names
73.0%(GC)bromobutanol1-bromo-2-butylol1-Bromobutane-2-olContainsca.20%2-Bromo-1-butanol1-BROMO-2-BUTANOL: CONTAINS CA. 20% 2-BROMO-1-BUTANOL
CS-0197080F74055EN300-1913739FT-0690986SCHEMBL6240352SCHEMBL28914755CAA48257SY054957
Database identifiers
- CAS
2482-57-7- PubChem CID
- 520149
- DTXSID
DTXSID30334264- EC Number
- 677-965-5
- Nikkaji
- J150.192E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30.7
Physicochemical properties
- Boiling point
- 56 · 56-58 °C(Press: 11 Torr)
- Density
- 1.46 · 1.46
- refractive index
- 1.475 · 1.4750-1.4810
- pka
- 13.89 · 13.89±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- 1S/C4H9BrO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
- InChIKey
- DMRXISNUOWIOKV-UHFFFAOYSA-N
- SMILES
- BrCC(CC)O
- FDA UNII
- 9 LQ7C4SAQ · H9LQ7C4SAQ
- EPA Substance Registry System
- 2 · 2-Butanol, 1-bromo- (2482-57-7)
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H400
- Precautionary statements
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
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2905.59.1000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 26-36/37/39
- hazard_class
- 3
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H315-H317-H319-H400
- Limited Quantities
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butanol, 1-bromo-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers36 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
1 records
Compound notes
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