Completing data — refresh the page later to see the latest
Basic information
- CAS
81310-74-9- Standard SMILES
CC(CO)c1ccc(Br)cc1- InChIKey
RXLUPCQYFPVVKS-UHFFFAOYSA-N- Molecular formula
- C9H11BrO
- Average molar mass
- 215.09 g/mol
- Monoisotopic mass
- 213.99933
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)propan-1-ol
- IUPAC
- 2-(4-bromophenyl)propan-1-ol
- English name
- Benzeneethanol, 4-bromo-β-methyl-
- Molecular formula
- C9H11BrO
- Molecular weight
- 215.09
Names & synonyms
2-(4-bromophenyl)propan-1-ol81310-74-9RefChem:457117892-167-92-(4-Bromophenyl)-1-propanolBenzeneethanol, 4-bromo-beta-methyl-SCHEMBL38587932-(4-Bromophenyl)-1-propanol #Benzeneethanol, 4-bromo-b-methyl-GDA31074AKOS015149470Benzeneethanol, 4-bromo-.beta.-methyl-
Show more names
Benzeneethanol, 4-bromo-β-methyl-
DB-087987CS-0237050EN300-177076G60040F654593
Database identifiers
- CAS
81310-74-9- PubChem CID
- 569062
- EC Number
- 892-167-9
- Nikkaji
- J3.271.569I
Properties
Computed structural propertiesFilling in
- 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
- 108
Physicochemical properties
- Boiling point
- 283.7 · 283.7±15.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 14.73 · 14.73±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海濮皓化学科技有限公司13761817188 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
9 records
Compound notes
Loading…