CAS 473-27-8 4-Aminophenyl trifluoromethyl sulphone (HCID 136315)

기본 정보

CAS: 473-27-8
표준 SMILES: Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N
분자식: C7H6F3NO2S
평균 분자량: 225.19 g/mol
단동위원소 질량: 225.00713409

이름 및 식별자

우선 이름: 4-Aminophenyl trifluoromethyl sulphone
IUPAC: 4-(trifluoromethylsulfonyl)aniline
현지명: 4-(트리플루오로메틸술포닐)아닐린
영어명: 4-(Trifluoromethylsulfonyl)aniline
분자식: C7H6F3NO2S
분자량: 225.19

이름 및 동의어

473-27-84-(Trifluoromethylsulfonyl)aniline4-Aminophenyl trifluoromethyl sulphoneDTXSID20197087RefChem:518270DTXCID30119578626-476-54-((Trifluoromethyl)sulfonyl)aniline4-[(trifluoromethyl)sulfonyl]aniline4-trifluoromethanesulfonylaniline4-Aminophenyl trifluoromethyl sulfoneMFCD00182685

이름 더 보기

4-(트리플루오로메틸술포닐)아닐린TRIFLUOROMETHYLSULFONYL ANILINE4-(trifluoroMethane)sulfonylaniline4-(Trifluoromethylsulfonyl)aniline 95%

4-(trifluoromethylsulphonyl)aniline4-[(Trifluoromethyl)sulphonyl]aniline4-[(Trifluoromethyl)sulfonyl]phenylamine4-(trifluoromethylsulfonyl)benzenamine4-(trifluoromethanesulfonyl)aniline4-Triflylaniline4-trifluoromethanesulfonyl-aniline(4-triflylphenyl)amine

데이터베이스 식별자

CAS: 473-27-8
PubChem CID: 136315
DTXSID: DTXSID20197087
EC Number: 626-476-5
Nikkaji: J597.153E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 96 °C · 96 °C (lit.)
끓는 점: 317.8 · 317.8±42.0 °C(Predicted)
밀도: 1.502 · 1.502±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -0.01 · -0.01±0.10(Predicted)
색상: Faint brown
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(S(C(F)(F)F)(=O)=O)C=C1

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 41 reports by companies from 4 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.