2-Chloro-5-(trifluoromethyl)pyrimidine

HCID 13317019

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69034-12-4
표준 SMILES: FC(F)(F)c1cnc(Cl)nc1
InChIKey: TYCYTQLXAIDJNF-UHFFFAOYSA-N
분자식: C5H2ClF3N2
평균 분자량: 182.53 g/mol
단동위원소 질량: 181.9858604

이름 및 식별자

우선 이름: 2-Chloro-5-(trifluoromethyl)pyrimidine
IUPAC: 2-chloro-5-(trifluoromethyl)pyrimidine
영어명: Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)
분자식: C5H2ClF3N2
분자량: 182.53

이름 및 동의어

2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-4DTXSID80536599RefChem:258907DTXCID10487388687-139-6Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)MFCD097534822-Chloro-5-trifluoromethyl-pyrimidinePyrimidine, 2-chloro-5-(trifluoromethyl)-2-CHLORO-5-TRIFLUOROMETHYLPYRIMIDINEAKOS007930237

이름 더 보기

2-chloro-5-(trifluoromethyl)- (9CI)2-Chloro-5-(trifluoromethyl)-1,3-diazine2-Chloro-5-(trifluoroMethyl)pyriMidine 96%2-chloro-5-(trifluoromethyl) pyrimidine, 98%minPyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI) ISO 9001：2015 REACHPyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)，2-chloro-5-(trifluoromethyl)pyrimidine

PS-85232-chloro-5-(trifluoromethyl)-pyrimidineFT-0649353SCHEMBL485196orb3144427CHEMBL5205619SCHEMBL28897621SBB089954

데이터베이스 식별자

CAS: 69034-12-4
PubChem CID: 13317019
DTXSID: DTXSID80536599
ChEMBL: CHEMBL5205619
EC Number: 687-139-6

물성

구조 계산 물성

XLogP: 2
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 48 · 48-52°C
끓는 점: 222.1 · 222.1±35.0 °C(Predicted)
밀도: 1.504 · 1.504±0.06 g/cm3(Predicted)
인화점: 71 ℃ · 71℃
저장 조건: -20 °C · -20°C
산도 계수 (pKa): -3.48 · -3.48±0.22(Predicted)
물리적 상태: 결정질 고체
색상: 하얀색
InChI: InChI=1S/C5H2ClF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
InChIKey: TYCYTQLXAIDJNF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 2933599590
risk_code: 25-36/37/38
hazard_code: Xi,T
safety_code: 26-45
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects