Basic information
- CAS
31575-75-4- Standard SMILES
Brc1ccccc1OCc1ccccc1- InChIKey
NBHAHMHUMMWFPJ-UHFFFAOYSA-N- Molecular formula
- C13H11BrO
- Average molar mass
- 263.13 g/mol
- Monoisotopic mass
- 261.99932707
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-2-bromobenzene
- IUPAC
- 1-bromo-2-phenylmethoxybenzene
- English name
- 2-(Benzyloxy)broMobenzene
- Molecular formula
- C13H11BrO
- Molecular weight
- 263.13
Names & synonyms
1-(Benzyloxy)-2-bromobenzene31575-75-41-benzyloxy-2-bromobenzeneDTXSID30340128RefChem:427106DTXCID50291209608-640-82-Benzyloxybromobenzene1-Bromo-2-benzyloxybenzene2-(Benzyloxy)bromobenzene1-bromo-2-phenylmethoxybenzene2-Bromophenyl Benzyl Ether
Show more names
Benzyloxy-1-broMobenzene2-BroMophenol Benzyl Ether2-Benzyloxybromobenzene 96%Benzene, 1-broMo-2-(phenylMethoxy)-
MFCD03427006Benzyl 2-bromophenyl ethero-benzyloxyphenylbromide2-benzyloxy-bromobenzene2-bromo-O-benzyl phenol2-benzyloxybromo- benzene2-benzyloxy-1-bromobenzene1-benzyloxy-2-bromo-benzene
Database identifiers
- CAS
31575-75-4- PubChem CID
- 561828
- DTXSID
DTXSID30340128- EC Number
- 608-640-8
- Nikkaji
- J314.133K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.06 Torr)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D >1.6060(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Store at room temperature
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Oil
- color
- Colorless
- InChI
- InChI=1S/C13H11BrO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2
- InChIKey
- NBHAHMHUMMWFPJ-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=CC=C1OCC1=CC=CC=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P501-P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Applications
Uses2-(Benzyloxy)broMobenzene can be used in the preparation of different inhibitors.
Suppliers80 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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）
Related reactions
92 records
Compound notes
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