Basic information
- Standard SMILES
BrCc1ccc(-c2ccc(CBr)cc2)cc1- InChIKey
HMUGRILXVBKBID-UHFFFAOYSA-N- Molecular formula
- C14H12Br2
- Average molar mass
- 340.05 g/mol
- Monoisotopic mass
- 337.93057458
Names & identifiers
- Preferred name
- 4,4'-Bis(bromomethyl)biphenyl
- IUPAC
- 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
- English name
- 4,4'-Bis(bromomethyl)biphenyl
- Molecular formula
- C14H12Br2
- Molecular weight
- 340.05
Names & synonyms
20248-86-64,4'-Bis(bromomethyl)biphenylDTXSID50347417RefChem:506565DTXCID40298489663-347-24,4'-Bis(bromomethyl)-1,1'-biphenyl1,1'-Biphenyl, 4,4'-bis(bromomethyl)-4,4-BIS(BROMOMETHYL)BIPHENYL1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzeneMFCD000944194,4'-Bis-bromomethyl-biphenyl
Show more names
4，4'-Bis(bromomethyl)-1，1'-biphenyl4,4'-Bis(bromomethylBisbromomethylbiphenyl4,4-dibromethylbiphenylα,α′-Dibromo-p,p′-bitolyl4,4'-Bis(bromomethyl)biphenyl >4,4''-BIS(BROMOMETHYL)BIPHENYL 98%
SCHEMBL6796264,4'-bis (bromomethyl) biphenylAKOS000567105B19214,4 inverted exclamation mark -Bis(bromomethyl)biphenylALPHA,ALPHA'-DIBROMO-P,P'-BITOLYL4,4'-Bis(bromomethyl)-1,1'-biphenyl; 1-(Bromomethyl)-4-[4-(bromomethyl)phenyl]benzene; 4,4'-Bis(bromomethyl) Diphenyl; 4,4'-Bis(bromomethyl)biphenyl; 4,4'-Di(bromomethyl)-1,1'-biphenyl; a,a'-Dibromo-p,p'-ditolylFT-0637962
Database identifiers
- CAS
20248-86-6- PubChem CID
- 621238
- DTXSID
DTXSID50347417- UNII
- 2A5BED29C6
- EC Number
- 663-347-2
- Nikkaji
- J950.656J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 169 to · 169.0 to 173.0 °C
- Boiling point
- 399.8 · 399.8±37.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- BRN
- 2444585 · 2444585
- InChI
- InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
- InChIKey
- HMUGRILXVBKBID-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(CBr)C=C2)=CC=C(CBr)C=C1
- CAS DataBase Reference
- 20248 · 20248-86-6
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H410
- Precautionary statements
- 260 · P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
- Hazard Codes
- C,N
- Risk Statements
- 36 · 36/37/38-50/53-34-22
- Safety Statements
- 26 · 26-36/37/39-61-60-45
- RIDADR
- 3261 · UN 3261 8 / PGIII
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGIII
- hs_code
- 29039990
- risk_code
- 36/37/38-50/53-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- C,N
- safety_code
- 26-36/37/39-61-60-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Corr. 1B
- Precautionary statements
- P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses4,4''-Bis(bromomethyl)-1,1''-biphenyl is a genotoxic impurity from valsartan antihypertensive drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
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Related reactions
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