Basic information
- CAS
14704-31-5- Standard SMILES
BrCc1cccc(-c2ccccc2)c1- InChIKey
RTFPTPXBTIUISM-UHFFFAOYSA-N- Molecular formula
- C13H11Br
- Average molar mass
- 247.13 g/mol
- Monoisotopic mass
- 246.00441245
Names & identifiers
- Preferred name
- 3-(Bromomethyl)biphenyl
- IUPAC
- 1-(bromomethyl)-3-phenylbenzene
- English name
- 3-(Bromomethyl)biphenyl
- Molecular formula
- C13H11Br
- Molecular weight
- 247.13
Names & synonyms
3-(Bromomethyl)biphenyl14704-31-5DTXSID00397563RefChem:275200DTXCID30348422629-083-73-Phenylbenzyl bromide3-(BROMOMETHYL)-1,1'-BIPHENYL1-(bromomethyl)-3-phenylbenzene3-Bromomethylbiphenyl1,1'-Biphenyl, 3-(bromomethyl)-MFCD03452790
Show more names
3-Phenylbenzyl3-phenylbenzylbromoPhenylbenzyl BromideBifeprunox Impurity 1m-Phenylbenzyl bromidePENTAFLUOROBENZALDEHYDEVenadaparib Impurity 87
3-phenylbenzylbromide3-bromomethyl-biphenyl3-phenyl benzylbromide3-phenyl benzyl bromide3-phenylphenylmethyl bromideSCHEMBL120295AB15479AC-12328
Database identifiers
- CAS
14704-31-5- PubChem CID
- 3864405
- DTXSID
DTXSID00397563- EC Number
- 629-083-7
- Nikkaji
- J1.979.900J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 57 · 57-61 °C
- Boiling point
- 185 °C/12mm · 185°C/12mm
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol
- form
- Solid
- color
- Tan
- InChI
- InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
- InChIKey
- RTFPTPXBTIUISM-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=CC=CC(CBr)=C1
- CAS DataBase Reference
- 14704 · 14704-31-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H410
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 22-34-50/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- C,N,Xi
- safety_code
- 26-36/37/39-45-60-61-37/39
- hazard_class
- IRRITANT, LACHRYMATOR, CORROSIVE
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314-H410
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Corr. 1B
Chemistry & industry
Applications
Uses3-Phenylbenzyl bromide may be used in the synthesis of the following amino alcohols:NH-benzyl-(1R,2S)-norephedrineNH-3-phenylbenzyl-(1R,2S)-norephedrine(1R,2S)-2-(benzylamino)-1,2-diphenylethanol
Upstream & downstream products
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
44 records
Compound notes
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