2-(Difluoromethoxy)-6-methylaniline

HCID 18981673

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 139909-66-3
표준 SMILES: Cc1cccc(OC(F)F)c1N
InChIKey: AUCZKWLCAYXRAY-UHFFFAOYSA-N
분자식: C8H9F2NO
평균 분자량: 173.16 g/mol
단동위원소 질량: 173.06522023

이름 및 식별자

우선 이름: 2-(Difluoromethoxy)-6-methylaniline
IUPAC: 2-(difluoromethoxy)-6-methylaniline
영어명: Benzenamine, 2-(difluoromethoxy)-6-methyl-
분자식: C8H9F2NO
분자량: 173.16

이름 및 동의어

2-(difluoromethoxy)-6-methylaniline139909-66-3DTXSID10597097RefChem:253754DTXCID30547857870-334-7Benzenamine, 2-(difluoromethoxy)-6-methyl-SCHEMBL8764050SCHEMBL297788392-difluoromethoxy-6-methyl anilinePFA909662-(difluoromethoxy)-6-methyl-aniline

이름 더 보기

AKOS009472555AT129562-(Difluoromethoxy)-6-methylbenzenamineDB-133822CS-0216848EN300-62466Z421792212

데이터베이스 식별자

CAS: 139909-66-3
PubChem CID: 18981673
DTXSID: DTXSID10597097
EC Number: 870-334-7

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 143

물리화학적 성질

끓는 점: 231.7 · 231.7±35.0 °C(Predicted)
밀도: 1.208 · 1.208±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.15 · 3.15±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.