벤조산,2-aMino-5-클로로-3-메틸-,메틸에스테르

Methyl 2-amino-5-chloro-3-methylbenzenecarboxylate

HCID 12744623

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79101-83-0
표준 SMILES: COC(=O)c1cc(Cl)cc(C)c1N
InChIKey: BOYQWVQNPIZDPU-UHFFFAOYSA-N
분자식: C9H10ClNO2
평균 분자량: 199.63 g/mol
단동위원소 질량: 199.0400063

이름 및 식별자

우선 이름: Methyl 2-amino-5-chloro-3-methylbenzenecarboxylate
IUPAC: methyl 2-amino-5-chloro-3-methylbenzoate
현지명: 벤조산,2-aMino-5-클로로-3-메틸-,메틸에스테르
영어명: Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester
분자식: C9H10ClNO2
분자량: 199.63

이름 및 동의어

79101-83-0methyl 2-amino-5-chloro-3-methylbenzenecarboxylateRefChem:814062842-279-9methyl 2-amino-5-chloro-3-methylbenzoateBenzoic acid, 2-amino-5-chloro-3-methyl-, methyl esterMFCD11501868methyl2-amino-5-chloro-3-methylbenzoatemethyl 5-chloro-2-amino-3-methyl-benzoateSCHEMBL1056378BOYQWVQNPIZDPU-UHFFFAOYSA-NAKOS010054446

이름 더 보기

벤조산,2-aMino-5-클로로-3-메틸-,메틸에스테르2-Amino-5-chloro-3-methyl-benzoic acid methyl ester

HA-0823DB-297851methyl 2-amino-5-chloro-3-methyl-benzoateCS-0187465D83139EN300-3783222-amino-3-methyl-5-chlorobenzoic acid methyl esterZ594218700

데이터베이스 식별자

CAS: 79101-83-0
PubChem CID: 12744623
EC Number: 842-279-9

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

녹는점: 33 · 33-35 °C
끓는 점: 316.2 · 316.2±37.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 1.61 · 1.61±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.