2-CHLORO-5-FLUOROISONICOTICACID메틸에스테르
Methyl 2-chloro-5-fluoropyridine-4-carboxylate
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기본 정보
- CAS
876919-10-7- 표준 SMILES
COC(=O)c1cc(Cl)ncc1F- InChIKey
SRNIKBWSSVPZDX-UHFFFAOYSA-N- 분자식
- C7H5ClFNO2
- 평균 분자량
- 189.57 g/mol
- 단동위원소 질량
- 188.9992843
이름 및 식별자
- 우선 이름
- Methyl 2-chloro-5-fluoropyridine-4-carboxylate
- IUPAC
- methyl 2-chloro-5-fluoropyridine-4-carboxylate
- 현지명
- 2-CHLORO-5-FLUOROISONICOTICACID메틸에스테르
- 영어명
- 2-Chloro-5-fluoroisonicotinic acid methyl ester
- 분자식
- C7H5ClFNO2
- 분자량
- 189.57
이름 및 동의어
876919-10-7Methyl 2-chloro-5-fluoropyridine-4-carboxylateDTXSID90673247RefChem:354193DTXCID60623996807-211-4Methyl 2-chloro-5-fluoroisonicotinate2-Chloro-5-fluoroisonicotinic acid methyl esterMFCD09909836Methyl 2-chloro-5-fluoro-pyridine-4-carboxylateSCHEMBL1330158SRNIKBWSSVPZDX-UHFFFAOYSA-N
이름 더 보기
2-CHLORO-5-FLUOROISONICOTICACID메틸에스테르
4-Pyridinecarboxylic acid, 2-chloro-5-fluoro-, methyl esterCS-D0437Methyl2-chloro-5-fluoroisonicotinateAKOS006311813PS-6726SB52734Methyl 2-chloro-5-fluoropyridine-4-carboxylate, 2-Chloro-5-fluoro-4-(methoxycarbonyl)pyridineAC-27985
데이터베이스 식별자
- CAS
876919-10-7- PubChem CID
- 46311230
- DTXSID
DTXSID90673247- EC Number
- 807-211-4
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 39.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 179
물리화학적 성질
- 끓는 점
- 253.9 · 253.9±40.0 °C(Predicted)
- 밀도
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -3.49 · -3.49±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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.；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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933399990
관련 반응
2건
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