Basic information
- CAS
68120-35-4- Standard SMILES
Cc1ccc(CO)cc1Br- InChIKey
ZRBDUKUJADUIEO-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98367701
Names & identifiers
- Preferred name
- (3-Bromo-4-methylphenyl)methanol
- IUPAC
- (3-bromo-4-methylphenyl)methanol
- English name
- (3-BroMo-4-Methylphenyl)Methanol
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
(3-BROMO-4-METHYLPHENYL)METHANOL68120-35-4DTXSID20513647RefChem:207544DTXCID304644543-bromo-4-methylbenzyl alcoholMFCD12031922(3-Bromo-4-methyl-phenyl)-methanolAKOS0160081713-Bromo-4-methylbenzyl alcohol, 97%FS-5165SY030171
Show more names
3-Bromo-4-methylbenzenemethanol
CS-0031361EN300-156755F50128Z1269190523Benzenemethanol, 3-bromo-4-methyl-3-Bromo-4-methylbenzylalcoholAMY14398A867125
Database identifiers
- CAS
68120-35-4- PubChem CID
- 12947381
- DTXSID
DTXSID20513647- EC Number
- 804-275-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 38 · 38-42°C
- Boiling point
- 283.4 · 283.4±25.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 14.29 · 14.29±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H9BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
- InChIKey
- ZRBDUKUJADUIEO-UHFFFAOYSA-N
- SMILES
- Cc1ccc(CO)cc1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
Safety & regulation
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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
16 records
Compound notes
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