Basic information
- CAS
4540-44-7- Standard SMILES
OC(CCl)CBr- InChIKey
TVDCSPSRGSLXOV-UHFFFAOYSA-N- Molecular formula
- C3H6BrClO
- Average molar mass
- 173.43 g/mol
- Monoisotopic mass
- 171.92906
Names & identifiers
- Preferred name
- 1-Bromo-3-chloropropan-2-ol
- IUPAC
- 1-bromo-3-chloropropan-2-ol
- English name
- 1-bromo-3-chloropropan-2-ol
- Molecular formula
- C3H6BrClO
- Molecular weight
- 173.44
Names & synonyms
1-Bromo-3-chloropropan-2-ol1-BROMO-3-CHLORO-2-PROPANOLEINECS 224-891-2NSC 173177DTXSID301310623RefChem:430455DTXCID6010211362-Propanol, 1-bromo-3-chloro-(8CI)2-Propanol, 1-bromo-3-chloro-(8CI)(9CI)224-891-24540-44-72-Propanol, 1-bromo-3-chloro-
Show more names
1-Chloro-3-bromo-2-propanol1-Bromo-3-chloropropane-2-ol1-Bromo-3-chloro-2-propanol 96 %
MFCD07783144NSC173177starbld0037098SCHEMBL4246254TVDCSPSRGSLXOV-UHFFFAOYSA-NALBB-032330AKOS006282543NSC-173177
Database identifiers
- CAS
4540-44-7- PubChem CID
- 20664
- DTXSID
DTXSID301310623- EC Number
- 224-891-2
- Nikkaji
- J35.174A
Properties
Computed structural properties
- XLogP
- 1
- 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
- 34
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 88 °C · 88 °C(Press: 15 Torr)
- Density
- 1.785 g/mL · 1.785 g/mL at 25 °C
- refractive index
- 1.573 · 1.5730 (estimate)
- pka
- 12.67 · 12.67±0.20(Predicted)
- form
- liquid
- InChI
- 1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2
- InChIKey
- TVDCSPSRGSLXOV-UHFFFAOYSA-N
- SMILES
- OC(CCl)CBr
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-39-61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers11 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…