4-(클로로메틸)-2-니트로아니솔

4-(Chloromethyl)-2-nitroanisole

HCID 80785CAS 6378-19-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CCl)cc1[N+](=O)[O-]
InChIKey: DKRYRFRNGLTDMB-UHFFFAOYSA-N
분자식: C8H8ClNO3
평균 분자량: 201.61 g/mol
단동위원소 질량: 201.0192708

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2-nitroanisole
IUPAC: 4-(chloromethyl)-1-methoxy-2-nitrobenzene
현지명: 4-(클로로메틸)-2-니트로아니솔
영어명: 4-(chloromethyl)-2-nitroanisole
분자식: C8H8ClNO3
분자량: 201.61

이름 및 동의어

4-(Chloromethyl)-2-nitroanisoleEINECS 228-949-8DTXSID10213220NSC 19935RefChem:515601DTXCID10135711228-949-84-(chloromethyl)-1-methoxy-2-nitrobenzene6378-19-44-methoxy-3-nitrobenzyl chloridePUB2MLM8PMBenzene, 4-(chloromethyl)-1-methoxy-2-nitro-

이름 더 보기

4-(클로로메틸)-2-니트로아니솔1-Chloromethyl-4-methoxy-3-nitrobenzene4-(Chloromethyl)-1-(methyloxy)-2-nitrobenzenetetrasodium 2-[[7-[[bis(carboxylatomethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-2-xanthenyl]methyl-(carboxylatomethyl)amino]acetate

NSC-19935NSC19935UNII-PUB2MLM8PMSCHEMBL4993434-methoxy-3-nitrobenzylchloride3-nitro-4-methoxybenzyl chlorideGAA37819Anisole, 4-(chloromethyl)-2-nitro-

데이터베이스 식별자

CAS: 6378-19-4
PubChem CID: 80785
DTXSID: DTXSID10213220
UNII: PUB2MLM8PM
EC Number: 228-949-8
Nikkaji: J29.523J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 87 · 87-88℃
밀도: 1.317 · 1.317±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, 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.