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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 3696469생성일: 2026년 10월 25일

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

BUTTPARK 46\18-97 · Methyl 2-chloro-4-(trifluoromethyl)pyrimidine- · Methyl2-chloro-4-(trifluoromethyl)pyrimidine-5- · 2-Chloro-5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine · Methyl-2-chloro-4-(trifluoromethyl)pyrimidin-5-carboxylate · METHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE · Methyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate · Methyl 2-Chloro-4-(trif1uoromethyl) pyridine-5-carboxylate

https://huagongshe.com/ko/chemical/3696469

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.175137-27-6
분자식C7H4ClF3N2O2
평균 분자량240.57 g/mol
단동위원소 질량239.99133971 g/mol
SMILESCOC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIKeyVLUBJYUOPNGBOQ-UHFFFAOYSA-N
PubChem CID3696469
EC No.671-935-5
DTXSIDDTXSID50395175

화학 및 물리적 성질

XLogP1.9
극성 표면적52.1
수소 결합 공여자 수0
수소 결합 수용자 수7
회전 가능 결합 수2
무거운 원자 수15
형식 전하0
복잡도249
녹는점253-254 °C
끓는 점76-78°C 0,5mm
밀도1.491
굴절률n20/D1.468
인화점>110℃
저장 조건2-8°C
pKa(산도 계수)-5.70±0.29(Predicted)
물리적 상태liquid
InChI1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3
InChIKeyVLUBJYUOPNGBOQ-UHFFFAOYSA-N
SMILESCOC(=O)c1cnc(Cl)nc1C(F)(F)F

안전 및 규제

GHS 분류DangerH301 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
수질 위해 등급(WGK)3
운송 번호(UN)UN 2810 6.1 / PGIII
관세 코드2933599590
위험 문구(R)36/37/38-20/21/22-22
위험 표시Xi,Xn
안전 문구(S)26-36/37/39-23-51-24/25-22
위험 등급IRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects