2-클로로-4-(트리플루오로메틸)피리미딘-5-카르보닐클로라이드

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

HCID 2736708CAS 154934-99-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1cnc(Cl)nc1C(F)(F)F
InChIKey: BTRSILVUNQWNDR-UHFFFAOYSA-N
분자식: C6HCl2F3N2O
평균 분자량: 244.98 g/mol
단동위원소 질량: 243.94180267

이름 및 식별자

우선 이름: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
IUPAC: 2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
현지명: 2-클로로-4-(트리플루오로메틸)피리미딘-5-카르보닐클로라이드
영어명: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
분자식: C6HCl2F3N2O
분자량: 244.99

이름 및 동의어

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride154934-99-32-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchlorideMFCD00173789C6HCl2F3N2OSCHEMBL79014DTXSID80371543SBB067930AKOS015853170PS-10730DB-008807F008268

이름 더 보기

2-클로로-4-(트리플루오로메틸)피리미딘-5-카르보닐클로라이드BUTTPARK 37\18-312-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97%2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%

2-chloro-4-trifluoromethyl-pyrimidin-5-carbonyl chloride2-chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride2-chloro-4-trifluoromethyl-pyrimidine-5-carbonyl chloride2-CHLORO-4-TRIFLUOROMETHYL-5-PYRIMIDINE CARBONYL CHLORIDE

데이터베이스 식별자

CAS: 154934-99-3
PubChem CID: 2736708
DTXSID: DTXSID80371543
EC Number: 672-004-6

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 42.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 158 °C · 158 °C
끓는 점: 54 °C · 54°C 0,15mm
밀도: 1.658 · 1.658±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): -6.23 · -6.23±0.29(Predicted)
색상: Clear, dark yellow

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

ridadr: 3265
HS 번호: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39
위험 등급: CORROSIVE

화학 및 산업

응용 분야

용도2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.