CAS 116548-03-9 2-Hydroxy-6-(trifluoromethyl)nicotinamide (HCID 2775114)

기본 정보

CAS: 116548-03-9
표준 SMILES: NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIKey: BZMWJLRKOIRLSU-UHFFFAOYSA-N
분자식: C7H5F3N2O2
평균 분자량: 206.12 g/mol
단동위원소 질량: 206.03031189

이름 및 식별자

우선 이름: 2-Hydroxy-6-(trifluoromethyl)nicotinamide
IUPAC: 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
현지명: 2-하이드록시-6-(트리플루오로메틸)니코틴아미드
영어명: 2-Hydroxy-6-(trifluoromethyl)nicotinamide
분자식: C7H5F3N2O2
분자량: 206.12

이름 및 동의어

2-Hydroxy-6-(trifluoromethyl)nicotinamide116548-03-9DTXSID70379391RefChem:473306DTXCID20330417671-166-52-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide2-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamideMFCD002437293-Pyridinecarboxamide, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-SCHEMBL844968

이름 더 보기

2-하이드록시-6-(트리플루오로메틸)니코틴아미드BUTTPARK 147\16-482-Hydroxy-6-(Trifluoromethyl Nnicotinamide

HMS1431I13CCG-236439AC-2451IDI1_011576CS-0082220Maybridge3_000189FT-0642841Bionet2_000945

데이터베이스 식별자

CAS: 116548-03-9
PubChem CID: 2775114
DTXSID: DTXSID70379391
EC Number: 671-166-5

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 72.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 354

물리화학적 성질

녹는점: 220 °C · 220 °C
끓는 점: 396.2 · 396.2±42.0 °C(Predicted)
밀도: 1.549 · 1.549±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.37 · 6.37±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
위험 참고 사항: Irritant

화학 및 산업

상·하류 제품 정보

하류 제품

메틸2-브로모-6-(트리플루오로메틸)니코티네이트

공급사73 곳

上海恩氟佳科技有限公司15800445152 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

화합물 노트

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