Basic information
- CAS
6314-52-9- Standard SMILES
OC(CBr)c1ccc(Cl)cc1- InChIKey
OARLXKUTYSMNRK-UHFFFAOYSA-N- Molecular formula
- C8H8BrClO
- Average molar mass
- 235.5 g/mol
- Monoisotopic mass
- 233.94471
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-chlorophenyl)ethan-1-ol
- IUPAC
- 2-bromo-1-(4-chlorophenyl)ethanol
- English name
- 2-Bromo-1-(4-chlorophenyl)ethan-1-ol
- Molecular formula
- C8H8BrClO
- Molecular weight
- 235.50552
Names & synonyms
2-bromo-1-(4-chlorophenyl)ethan-1-olRefChem:465953879-208-62-bromo-1-(4-chlorophenyl)ethanol6314-52-9MFCD14540492NSC39776Tulobuterol Impurity 5Tulobuterol Impurity 14SCHEMBL6280792DTXSID40284908OARLXKUTYSMNRK-UHFFFAOYSA-N
Show more names
Benzenemethanol, α-(bromomethyl)-4-chloro-
MFCD24346375NSC-39776AKOS0175603862-bromo-4'-chloro-1-phenylethan-1-olalpha-bromomethyl-4-chlorobenzyl alcohol(R)-2-Bromo-1-(4-chlorophenyl)ethanolSY358666SY358667
Database identifiers
- CAS
6314-52-9- PubChem CID
- 236800
- DTXSID
DTXSID40284908- EC Number
- 879-208-6
- Nikkaji
- J2.995.136E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 61 · 61-62 °C
- Boiling point
- 96 °C · 96 °C(Press: 5 Torr)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers12 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
河南伊诺凯新材料有限公司17634273666 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
2 records
Compound notes
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