2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide

HCID 670477

기본 정보

CAS: 32428-71-0
표준 SMILES: CCc1cccc(C)c1NC(=O)CCl
InChIKey: SMINYPCTNJDYGK-UHFFFAOYSA-N
분자식: C11H14ClNO
평균 분자량: 211.69 g/mol
단동위원소 질량: 211.07639175

개요

N-(2-ethyl-6-methylphenyl)-2-chloroacetamide is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2-ethyl-6-methylaniline. It is an organochlorine compound and an aromatic amide. It is functionally related to a chloroacetic acid.

이름 및 식별자

우선 이름: 2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide
IUPAC: 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
영어명: 2-ETHYL-6-METHYL-2-CHLOROACETANILIDE
분자식: C11H14ClNO
분자량: 211.69

이름 및 동의어

2-chloro-N-(2-ethyl-6-methylphenyl)acetamideDTXSID60186172RefChem:470030DTXCID7010866332428-71-02-Ethyl-6-Methyl-2-ChloroacetanilideAcetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-MFCD00267498N-chloroacetyl-2-ethyl-6-methylaniline2-chloro-2'-ethyl-6'-methylacetanilideSCHEMBL65460272-Chloro-N-(2-ethyl-6-methyl-phenyl)-acetamide

이름 더 보기

SKL909CGA 13656Verapamil Impurity 40Des(ethoxy)methyl AcetochlorN-(Chloroacetyl)-2-ethyl-6-methylaniline2-CHLORO-(N-2-METHYL-6-ETHYL PHENYL)ACETAMIDE2-chloro-N-(2-ethyl-6-methyl-phenyl)ethanamide

CMEPA2-chloro-N-(6-ethyl-2-methylphenyl)acetamideN-(2-ethyl-6-methylphenyl)-2-chloroacetamideSCHEMBL30323772CHEBI:136494SMINYPCTNJDYGK-UHFFFAOYSA-NALBB-002413BBL007583

데이터베이스 식별자

CAS: 32428-71-0
PubChem CID: 670477
DTXSID: DTXSID60186172
ChEBI: CHEBI:136494
EC Number: 693-756-1
Nikkaji: J1.364.875A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 196

실험 및 물리화학적 성질

PesticidesPesticide degradation product

물리화학적 성질

녹는점: 120 · 120-121 °C(Solv: ethanol, 50% (64-17-5))
끓는 점: 343.1 · 343.1±37.0 °C(Predicted)
밀도: 1.156 · 1.156±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 12.91 · 12.91±0.70(Predicted)
색상: 미색에서 옅은 빨간색까지
InChI: InChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKey: SMINYPCTNJDYGK-UHFFFAOYSA-N
SMILES: C(NC1=C(C)C=CC=C1CC)(=O)CCl
EPA: 2 · Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)- (32428-71-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319

화학 및 산업

약리 정보

Metabolism/Metabolites2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide is a known human metabolite of Acetachlor.

상·하류 제품 정보

상류 원료

메틸-6-에틸아닐린

공급사71 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

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