데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
113237-20-0- 표준 SMILES
NC(=O)c1cc(F)c(Cl)nc1Cl- InChIKey
ZVYNUGSPFZCYEV-UHFFFAOYSA-N- 분자식
- C6H3Cl2FN2O
- 평균 분자량
- 209 g/mol
- 단동위원소 질량
- 207.9606463
이름 및 식별자
- 우선 이름
- 2,6-Dichloro-5-fluoronicotinamide
- IUPAC
- 2,6-dichloro-5-fluoropyridine-3-carboxamide
- 영어명
- 2,6-Dichloro-5-fluoronicotinamide
- 분자식
- C6H3Cl2FN2O
- 분자량
- 209.01
이름 및 동의어
2,6-dichloro-5-fluoronicotinamide113237-20-0DTXSID30378845RefChem:248266DTXCID30329872692-271-22,6-dichloro-5-fluoropyridine-3-carboxamide3-Pyridinecarboxamide, 2,6-dichloro-5-fluoro-MFCD015713652,6-dichloro-5-fluoro-pyridine-3-carboxamide2,6-dichloro-5-fluoro-nicotinamideC6H3Cl2FN2O
이름 더 보기
2,6-Dichloro-5-fluoropyridine-3-carboxamide, 3-Carbamoyl-2,6-dichloro-5-fluoropyridineCPD2809-A1Sotorasib Impurity 1Olutasidenib Impurity 322,6-DICHLORO-5-FLUORONICOTIMIDE2,6-Dichloro-5-fluoronicotinamide97%2,6-Dichloro-5-fluoronicotinamide 97%2,6-Dichloro-3-formamide-5-fluoropyridine
2,6-dichloro-5-fluoro-3-pyridinecarboxamideH9DAW4Y9K4SCHEMBL166218SCHEMBL30474526ZVYNUGSPFZCYEV-UHFFFAOYSA-NSBB055539AKOS015919604SB30778
데이터베이스 식별자
- CAS
113237-20-0- PubChem CID
- 2774022
- DTXSID
DTXSID30378845- UNII
- H9DAW4Y9K4
- EC Number
- 692-271-2
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 56 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 192
물리화학적 성질
- 녹는점
- 160 · 160-162
- 끓는 점
- 259 · 259.0±40.0 °C(Predicted)
- 밀도
- 1.614 · 1.614±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 13.36 · 13.36±0.50(Predicted)
- 색상
- 하얀색
- InChI
- InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)
- InChIKey
- ZVYNUGSPFZCYEV-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=C(F)C=C1C(N)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (80%): 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 (80%): 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 5 reports by companies from 4 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 (80%)；Acute Tox. 4 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (80%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933399990
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
응용 분야
용도2,6-Dichloro-5-fluoronicotinamide is a fluorinated pharmaceutical intermediate compound used in the synthesis of Sotorasib and AMG 510. Sotorasib is a RAS GTPase family inhibitor used for the treatment of KRAS-mutated solid tumours including non-small cell lung cancer (NSCLC) and colorectal cancer.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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