2-Chlorobenzamide (HCID 69111)

이름 및 식별자

우선 이름: 2-Chlorobenzamide
IUPAC: 2-chlorobenzamide
현지명: 2-클로로벤자마이드
영어명: 2-Chlorobenzamide
분자식: C7H6ClNO
분자량: 155.58

이름 및 동의어

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

이름 더 보기

2-클로로벤자마이드2-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

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

LogP0.94

물리화학적 성질

녹는점: 142 · 142-144 °C(lit.)
끓는 점: 275 · 275.0±23.0 °C(Predicted)
밀도: 1.2187 · 1.2187 (rough estimate)
굴절률: 1.5618 · 1.5618 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 15.36 · 15.36±0.50(Predicted)
색상: 흰색에서 거의 흰색
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
EPA: 2 · 2-Chlorobenzamide (609-66-5)

화학적 성질

The substance is an almost white crystalline powder that can be dissolved in solvents such as benzene and toluene.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: CV2443737
HS 번호: 2924297099
risk_code: 22-36/37/38-20/22
hazard_code: Xn
safety_code: 36-37/39-26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

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

General Manufacturing InformationBenzamide, 2-chloro-: INACTIVE

응용 분야 · 2건

용도2-Chlorobenzamide is used to synthesize chlortetracycline and o-chlorobenzoyl isocyanate, which is an intermediate in chlortetracycline synthesis.

일반 설명2-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.