N-(3-아미노-4-메틸페닐)-3-(트리플루오로메틸)벤즈아미드

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide

HCID 11529455

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 30069-31-9
표준 SMILES: Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N
InChIKey: UFOJNUSJWKEEEQ-UHFFFAOYSA-N
분자식: C15H13F3N2O
평균 분자량: 294.27 g/mol
단동위원소 질량: 294.09799753

이름 및 식별자

우선 이름: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
IUPAC: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
현지명: N-(3-아미노-4-메틸페닐)-3-(트리플루오로메틸)벤즈아미드
영어명: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
분자식: C15H13F3N2O
분자량: 294.27

이름 및 동의어

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide30069-31-9DTXSID30468114RefChem:361227DTXCID90418933869-784-7MFCD09930727SCHEMBL374471N-(3-Amino-4-methyl-phenyl)-3-trifluoromethyl-benzamideN-(3-amino-4-methyl-phenyl)-3-(trifluoromethyl)benzamideTQP0940XOFRFSPSRHTALR-UHFFFAOYSA-N

이름 더 보기

N-(3-아미노-4-메틸페닐)-3-(트리플루오로메틸)벤즈아미드

Benzamide, N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)-FBA06931AKOS000171576AC-33898BS-52120DB-298331CS-0251769EN300-56001

데이터베이스 식별자

CAS: 30069-31-9
PubChem CID: 11529455
DTXSID: DTXSID30468114
EC Number: 869-784-7

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 372

물리화학적 성질

끓는 점: 338.4 · 338.4±42.0 °C(Predicted)
밀도: 1.335 · 1.335±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.88 · 12.88±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.