CAS 1667-10-3 4,4'-Bis(chloromethyl)-1,1'-biphenyl (HCID 74275)

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Basic information

CAS: 1667-10-3
Standard SMILES: ClCc1ccc(-c2ccc(CCl)cc2)cc1
InChIKey: INZDTEICWPZYJM-UHFFFAOYSA-N
Molecular formula: C14H12Cl2
Average molar mass: 251.1 g/mol
Monoisotopic mass: 250.03160574

Names & identifiers

Preferred name: 4,4'-Bis(chloromethyl)-1,1'-biphenyl
IUPAC: 1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
English name: 4,4'-Bis(chloromethyl)-1,1'-biphenyl
Molecular formula: C14H12Cl2
Molecular weight: 251.15

Names & synonyms

1667-10-34,4'-Bis(chloromethyl)-1,1'-biphenylEINECS 216-784-4DTXSID20168156NSC 74077RefChem:96214DTXCID8090647216-784-44,4'-Bis(chloromethyl)biphenyl1,1'-Biphenyl, 4,4'-bis(chloromethyl)-1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene4,4'-Bis(chloromethyl)-1,1-biphenyl

Show more names

BCMP4,4'-Bis(chLBisbiphenyl, BCMBBisphenol A DichlorideBiphenylbenzylchlorideBiphenyl dichlorobenzyl4,4Dichloromethylbiphenyl-bis(chloromethyl)-1,1'4,4bischloromethyl biohenyl

MFCD006740194,4-Bis(chloromethyl)-1,1-biphenyl4,4/'-Bis(chloromethyl)-1,1/'-biphenylNSC-740774-(chloromethyl)-1-[4-(chloromethyl)phenyl]benzeneNSC74077BCMB4,4'-bischloromethylbiphenyl

Database identifiers

CAS: 1667-10-3
PubChem CID: 74275
DTXSID: DTXSID20168156

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

PolymersOther Classes -> Halogenated Polyaromatics

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 126 °C · 126 °C (dec.)(lit.)
Boiling point: 184 °C · 184 °C / 0.2mmHg
Density: 1.195 · 1.195±0.06 g/cm3(Predicted)
vapor pressure: 4.6 Pa · 4.6Pa at 20℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Tetrahydrofuran
form: powder to crystal
color: White to Light yellow
Water Solubility: 200 ng/L · 200ng/L at 20℃
InChI: InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (29.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 25-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22520

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Biphenyl.

Hazard Classes and CategoriesSkin Corr. 1B (29.1%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard statements

Chemistry & industry

Applications

Uses4,4'-Bis(chloromethyl)-1,1'-biphenyl is used as a reagent in the synthesis of new double quaternary ammonium salts containing a biphenyl moiety, which have antimicrobial and antifungal activity.