CAS 876-08-4 4-(Chloromethyl)benzoyl chloride (HCID 70136)

Names & identifiers

Preferred name: 4-(Chloromethyl)benzoyl chloride
IUPAC: 4-(chloromethyl)benzoyl chloride
English name: 4-(Chloromethyl)benzoyl chloride
Molecular formula: C8H6Cl2O
Molecular weight: 189.04

Names & synonyms

4-(Chloromethyl)benzoyl chloride876-08-4Benzoyl chloride, 4-(chloromethyl)-944K6CA5WUEINECS 212-881-0NSC-508741P-(CHLOROMETHYL)BENZOYL CHLORIDEDTXSID20236501NSC 508741.ALPHA.-CHLORO-P-TOLUOYL CHLORIDEALPHA-CHLORO-P-TOLUOYL CHLORIDERefChem:97403

Show more names

CMBCSKL1281Butafenacil Impurity 4α-Chloro-p-toluoyl chlorideChloroMethyl)benzoylchlorid(ChloroMethyl) benzoyl chloride4-CHLOROMETHYLBENZOYL CHLORIDE 98+%

DTXCID80158992212-881-0RCOVTJVRTZGSBP-UHFFFAOYSA-N4-chloromethylbenzoyl chlorideMFCD000532244-chloromethyl benzoyl chloridep-chloromethylbenzoyl chloride4-(Chloromethyl)benzoylchloride

Database identifiers

CAS: 876-08-4
PubChem CID: 70136
DTXSID: DTXSID20236501
UNII: 944K6CA5WU
EC Number: 212-881-0
Nikkaji: J195.163G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 30 · 30-32 °C(lit.)
Boiling point: 126 · 126-128 °C6 mm Hg(lit.)
Density: 1.2979 · 1.2979 (rough estimate)
refractive index: 1.5605 · 1.5605 (estimate)
Flash point: 199 °F · 199 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Toluene
form: Low Melting Crystalline Mass
color: White to light beige
InChI: InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey: RCOVTJVRTZGSBP-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=C(CCl)C=C1
CAS DataBase Reference: 876 · 876-08-4(CAS DataBase Reference)
FDA UNII: 944 K6CA5WU · 944K6CA5WU
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 23 · 23-26-27-36/37/39-45-25
RIDADR: 3261 · 3261
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29163990 · 29163990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (19.2%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 18-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33414

Hazard Classes and CategoriesMet. Corr. 1 (19.2%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 3261
hs_code: 29163990
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 23-26-27-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses4-(Chloromethyl)benzoyl chloride was used as an atom transfer radical polymerization (ATRP) initiator in the growth of polyacrylamide (PAAm) brushes from silicon wafers. It was also used as a building block in a microwave-assisted, solid-phase synthesis of imatinib, an anticancer agent.

Uses4-(Chloromethyl)benzoyl Chloride is used in the synthetic preparation of various compounds and pharmaceuticals. 4-(Chloromethyl)benzoyl Chloride was used in the synthesis of several imidazo[2,1-b]thia zoles.