2-Chlorobenzamide (HCID 69111)

Names & identifiers

Preferred name: 2-Chlorobenzamide
IUPAC: 2-chlorobenzamide
English name: 2-Chlorobenzamide
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

2-Chlorobenzamide609-66-5o-ChlorobenzamideBenzamide, 2-chloro-Benzamide, o-chloro-DTXSID3052278KE1M5I9I32NSC-406895DTXCID7030850RefChem:470380210-195-6MFCD00007973

Show more names

2-Chlorbenzamido-chloro-benzamid2-chloro-benzamidO-CHLORO-BENZAMIDEBenzamide, o-chloroTIMTEC-BB SBB0040232-Chlorobenzamide,98%2-Chlorobenzamide >

EINECS 210-195-6NSC 406895BRN 0508510chlorobenzamideUNII-KE1M5I9I32AI3-09664dichlobenil TP3M01 2-chlorobenzamide

Database identifiers

CAS: 609-66-5
PubChem CID: 69111
DTXSID: DTXSID3052278
ChEMBL: CHEMBL3561242
UNII: KE1M5I9I32
EC Number: 210-195-6
Nikkaji: J29.503E

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

LogP0.94

Physicochemical properties

Melting point: 142 · 142-144 °C(lit.)
Boiling point: 275 · 275.0±23.0 °C(Predicted)
Density: 1.2187 · 1.2187 (rough estimate)
refractive index: 1.5618 · 1.5618 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 15.36 · 15.36±0.50(Predicted)
color: White to Almost white
BRN: 508510 · 508510
InChI: 1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N
SMILES: NC(=O)c1ccccc1Cl
CAS DataBase Reference: 609 · 609-66-5(CAS DataBase Reference)
FDA UNII: 1 M5I9I32 · KE1M5I9I32
EPA Substance Registry System: 2 · 2-Chlorobenzamide (609-66-5)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H330-H335-H315-H319
Precautionary statements: 301 · P301+P312+P330-P304+P340-P305+P351+P338-P320-P330-P405-P501a-P264-P270-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38-20/22
Safety Statements: 36 · 36-37/39-26
WGK Germany: 1 · 1
RTECS: 2443737 · CV2443737
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Benzamide, 2-chloro-

Commission Regulation No 844/2012

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 03-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6240

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 1
tsca: TSCA listed
rtecs: CV2443737
hs_code: 2924297099
risk_code: 22-36/37/38-20/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
safety_code: 36-37/39-26
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H330-H335-H315-H319
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P301+P312+P330-P304+P340-P305+P351+P338-P320-P330-P405-P501a-P264-P270-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationBenzamide, 2-chloro-: INACTIVE

Applications · 2 items

Uses2-Chlorobenzamide is used to synthesize chlortetracycline and o-chlorobenzoyl isocyanate, which is an intermediate in chlortetracycline synthesis.

General Description2-Chlorobenzamide is the major degradation product of CCU (1-(2-chlorobenzoyl)-3-(4-chlorophenyl) urea), a new insect growth regulator. It undergoes room temperature Pd-mediated hydrodehalogenations with KF and polymethylhydrosiloxane (PMHS) to yield benzamide. t undergoes reduction with NaBH4 in diglyme at 162°C to yield 2-chlorobenzonitrile.