Basic information
- CAS
885069-29-4- Standard SMILES
CC(C)(O)c1cc(Br)ccc1Cl- InChIKey
WPXONSYGPGWBPM-UHFFFAOYSA-N- Molecular formula
- C9H10BrClO
- Average molar mass
- 249.53 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-chlorophenyl)propan-2-ol
- IUPAC
- 2-(5-bromo-2-chlorophenyl)propan-2-ol
- English name
- 2-(5-bromo-2-chlorophenyl)propan-2-ol
- Molecular formula
- C9H10BrClO
- Molecular weight
- 249.53
Names & synonyms
2-(5-bromo-2-chlorophenyl)propan-2-ol885069-29-4RefChem:458655873-922-1MFCD27931438SCHEMBL3234438WPXONSYGPGWBPM-UHFFFAOYSA-NKKB06929AKOS024114446DA-280332-(5-bromo-2-chloro-phenyl)propan-2-ol2-(5-bromo-2-chlorophenyl)-propan-2-ol
Show more names
132907Benzenemethanol, 5-bromo-2-chloro-α,α-dimethyl-
2-(5 bromo-2-chloro-phenyl)-propan-2-ol2-(5-bromo-2-chloro-phenyl)-propan-2-olCS-01915602-(5-bromanyl-2-chloranyl-phenyl)propan-2-olE93181EN300-1895442F629439
Database identifiers
- CAS
885069-29-4- PubChem CID
- 68559693
- EC Number
- 873-922-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 294.7 · 294.7±25.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 9999999999 · 9999999999
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 9999999999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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