2-Methoxy-5-(trifluoromethyl)aniline

HCID 600637CAS 349-65-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(F)(F)F)cc1N
InChIKey: RKUSRLUGUVDNKP-UHFFFAOYSA-N
분자식: C8H8F3NO
평균 분자량: 191.15 g/mol
단동위원소 질량: 191.05579854

개요

2-Methoxy-5-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.

이름 및 식별자

우선 이름: 2-Methoxy-5-(trifluoromethyl)aniline
IUPAC: 2-methoxy-5-(trifluoromethyl)aniline
영어명: 2-Methoxy-5-(trifluoromethyl)aniline
분자식: C8H8F3NO
분자량: 191.15

이름 및 동의어

2-Methoxy-5-(trifluoromethyl)aniline349-65-5DTXSID10344947RefChem:474442DTXCID40296021626-005-33-Amino-4-methoxybenzotrifluoride2-Amino-4-trifluoromethylanisoleMFCD00042486Benzenamine, 2-methoxy-5-(trifluoromethyl)-2-methoxy-5-(trifluoromethyl)benzenamine2-Methoxy-5-trifluoromethylaniline

이름 더 보기

BUTTPARK 50\01-75Telmovir impurity HLetermovir Intermediate 25-trifluoromethyl-o-anisidine6-methoxy-α,α,α-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)aniline>

2-Amino-4-(trifluoromethyl)anisole5-(Trifluoromethyl)-2-methoxyaniline2-Methoxy-5-trifluoromethyl-phenylamineM2212VU0510740-16-Methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)phenylamine5-(Trifluoromethyl)-o-anisidine

데이터베이스 식별자

CAS: 349-65-5
PubChem CID: 600637
DTXSID: DTXSID10344947
ChEBI: CHEBI:194915
UNII: BPM53GMU3T
EC Number: 626-005-3
Nikkaji: J265.587J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 58 · 58-60 °C (lit.)
끓는 점: 230.1 · 230.1±40.0 °C(Predicted)
밀도: 1.2645 · 1.2645 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 3.31 · 3.31±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 베이지-회색에서 갈색까지
BRN: 2835713 · 2835713
InChI: InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
InChIKey: RKUSRLUGUVDNKP-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1OC

화학적 성질

Beige-greyish to brownish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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)

Aggregated GHS information provided per 85 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN2811
HS 번호: 29222990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methoxy-5-(trifluoromethyl)aniline may be used in chemical synthesis.

상·하류 제품 정보

상류 원료

프로로(4-)-3니트로벤조트리풀로라이드 3-Bromo-4-methoxybenzotrifluoride2-Methoxy-5-trifluoromethyl bromobenzene 4-플루오로벤조트리클로라이드 4-METHOXY-3-NITROBENZOTRIFLUORIDE 4-(Trifluoromethyl)anisole 플루오르벤조트리폴로라이드 철분 플로로톨루엔(4-)수소 메틸알콜

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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