2-Methyl-6-(trifluoromethyl)nicotinic acid

HCID 2775683

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 261635-93-2
표준 SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)O
InChIKey: ODWJFUQRQUCRJZ-UHFFFAOYSA-N
분자식: C8H6F3NO2
평균 분자량: 205.13 g/mol
단동위원소 질량: 205.03506309

이름 및 식별자

우선 이름: 2-Methyl-6-(trifluoromethyl)nicotinic acid
IUPAC: 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
영어명: 2-Methyl-6-(trifluoromethyl)nicotinic acid
분자식: C8H6F3NO2
분자량: 205.13

이름 및 동의어

261635-93-22-methyl-6-(trifluoromethyl)nicotinic acidDTXSID30379655RefChem:263597DTXCID90330681670-662-92-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid2-methyl-6-trifluoromethyl-nicotinic acidMFCD013119903-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-Maybridge4_000139SCHEMBL148900

이름 더 보기

2-Methyl-6-(trifluoromethyl)nicotinicacid,97%2-Methyl-6-(trifluoromethyl)nicotinic acid, Tech.2-methyl-6-(trifluoromethyl)pyridine-3-carboxylicaci2-METHYL-6-(TRIFLUOROMETHYL)NICOTINIC ACID ISO 9001：2015 REACH2-Methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2-methyl-6-(trifluoromethyl)pyridine

2-methyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid6-(trifluoromethyl)-2-methylpyridine-3-carboxylic acidSCHEMBL30102436WLZ5113BUTTPARK 27\06-89HMS1521G07SBB018065AKOS000302070

데이터베이스 식별자

CAS: 261635-93-2
PubChem CID: 2775683
DTXSID: DTXSID30379655
EC Number: 670-662-9

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 139 · 139-141℃
끓는 점: 253 · 253.0±40.0℃ (760 Torr)
밀도: 1.414 · 1.414±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 106.8 · 106.8±27.3℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 2.51 · 2.51±0.25(Predicted)
색상: 노란색에서 옅은 갈색까지
수용성: 물에 약간 용해됩니다(25°C에서 4.7g/L).

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.