4-아미노-2-클로로-N,N-디메틸벤즈아미드

4-amino-2-chloro-N,N-dimethylbenzamide

HCID 10943480

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98995-06-3
표준 SMILES: CN(C)C(=O)c1ccc(N)cc1Cl
InChIKey: HYYZVBNRQCDKET-UHFFFAOYSA-N
분자식: C9H11ClN2O
평균 분자량: 198.65 g/mol
단동위원소 질량: 198.0559907

이름 및 식별자

우선 이름: 4-amino-2-chloro-N,N-dimethylbenzamide
IUPAC: 4-amino-2-chloro-N,N-dimethylbenzamide
현지명: 4-아미노-2-클로로-N,N-디메틸벤즈아미드
영어명: 4-amino-2-chloro-N,N-dimethylbenzamide
분자식: C9H11ClN2O
분자량: 198.65

이름 및 동의어

4-amino-2-chloro-N,N-dimethylbenzamide98995-06-3DTXSID40449237RefChem:289819DTXCID70400058Benzamide, 4-amino-2-chloro-N,N-dimethyl-MFCD097349304-amino-2-chloro-N,N-dimethyl-benzamideSCHEMBL3174627HYYZVBNRQCDKET-UHFFFAOYSA-NYDA99506BBL031422

이름 더 보기

4-아미노-2-클로로-N,N-디메틸벤즈아미드OTAVA-BB 1134976UKRORGSYN-BB BBV-0278922-Chloro-4-amino-N,N-dimethylbenzamide4-amino-2-chloro-N,N-dimethylbenzamide(SALTDATA: FREE)

STK862462AKOS000103449VS-10486DB-106552CS-0118592EN300-54223F311252F2163-0144

데이터베이스 식별자

CAS: 98995-06-3
PubChem CID: 10943480
DTXSID: DTXSID40449237
EC Number: 885-874-9

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 167 · 167-169 °C
끓는 점: 396.9 · 396.9±32.0 °C(Predicted)
밀도: 1.249 · 1.249±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.6 · 1.60±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.