[1,1'-Biphenyl]-4,4'-dicarbonyl dichloride

HCID 75374

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2351-37-3
Standard SMILES: O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIKey: QDBOAKPEXMMQFO-UHFFFAOYSA-N
Molecular formula: C14H8Cl2O2
Average molar mass: 279.1 g/mol
Monoisotopic mass: 277.99013486

Names & identifiers

Preferred name: [1,1'-Biphenyl]-4,4'-dicarbonyl dichloride
IUPAC: 4-(4-carbonochloridoylphenyl)benzoyl chloride
English name: 4,4'-Biphenyldicarbonyl chloride
Molecular formula: C14H8Cl2O2
Molecular weight: 279.12

Names & synonyms

[1,1'-Biphenyl]-4,4'-dicarbonyl dichloride4,4'-Biphenyldicarbonyl chlorideEINECS 219-085-2DTXSID0062343(1,1'-Biphenyl)-4,4'-dicarbonyl dichlorideRefChem:68058DTXCID6036887219-085-2QDBOAKPEXMMQFO-UHFFFAOYSA-N2351-37-34-(4-carbonochloridoylphenyl)benzoyl chloridebiphenyl-4,4'-dicarbonyl dichloride

Show more names

4BPAC4,4'-BIPHENYLDICARBONYLbiphenyl-4,4-dicarbonyl4,4‘-biphenylacetyl chloride4,4'-Bis(chloroformyl)biphenyl4,4'-biphenyldiethylacylchloro

MFCD000589344,4'-Bibenzoyl Chloride4,4'-Dibenzoyl Chloride1,1'-Biphenyl-4,4'-bis(carboxylic acid chloride)[1,1'-Biphenyl]-4,4'-dicarbonyldichloride4,4'-Diphenyldicarbonyl ChlorideBiphenyldicarbonylchlorideSCHEMBL727046

Database identifiers

CAS: 2351-37-3
PubChem CID: 75374
DTXSID: DTXSID0062343
UNII: 39R3G8K3DU
EC Number: 219-085-2
Nikkaji: J208.143A

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 282

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 189 °C · 189 °C
Boiling point: 407.8 · 407.8±38.0 °C(Predicted)
Density: 1.344 · 1.344
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: very faint turbidity in hot Toluene
form: powder to crystaline
color: White to Orange to Green
InChI: InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H
InChIKey: QDBOAKPEXMMQFO-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(Cl)=O)C=C2)=CC=C(C(Cl)=O)C=C1
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-4,4'-dicarbonyl dichloride (2351-37-3)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Hazard Codes: Xi,N
Risk Statements: 36 · 36-38-50/53
Safety Statements: 26 · 26-60-61
RIDADR: 3261 · 3261
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2902900000 · 2902900000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, 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 CategoriesMet. Corr. 1 (100%)

Safety data

tsca: TSCA listed
ridadr: 3261
hs_code: 2902900000
risk_code: 36-38-50/53
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,N
safety_code: 26-60-61
hazard_class: 8
packing_group: II
Hazard statements: H290-H314
Precautionary statements: P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501