5-Fluoro-3-pyridinamine

HCID 574450CAS 210169-05-4

기본 정보

표준 SMILES
Nc1cncc(F)c1
InChIKey
ZRORIJXOWXYPMO-UHFFFAOYSA-N
분자식
C5H5FN2
평균 분자량
112.1 g/mol
단동위원소 질량
112.04367638

이름 및 식별자

우선 이름
5-Fluoro-3-pyridinamine
IUPAC
5-fluoropyridin-3-amine
영어명
3-Amino-5-fluoropyridine
분자식
C5H5FN2
분자량
112.11

이름 및 동의어

5-fluoropyridin-3-amine210169-05-45-Fluoro-3-pyridinamineT287Q2D5WGDTXSID10943318RefChem:1072928DTXCID3013716893-Amino-5-fluoropyridine5-Amino-3-fluoropyridine3-Pyridinamine, 5-fluoro-462652-33-1(5-Fluoropyridin-3-yl)amine
이름 더 보기
3-PyridinaMine,5-fluoro-3-Amine-5-fluoro-pyridin3-AMine-5-fluoro-pyridine3-Amino-5-fluoropyridine >3-aMino -5-fluorine pyridine3-AMINO-5-FLUOROPYRIDINE 97%
MFCD002340735-fluoro-pyridin-3-ylamineCS-W008078AC-9568Z12016199105-fluoro-3-pyridylamine3-FLUORO-5-AMINOPYRIDINE5-FLUOROPYRIDIN-3-YLAMINE

데이터베이스 식별자

CAS
210169-05-4
PubChem CID
574450
DTXSID
DTXSID10943318
UNII
T287Q2D5WG
EC Number
664-255-5

물성

구조 계산 물성

XLogP
0.3
극성 표면적
38.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점
86 °C · 86°C
끓는 점
232.7 · 232.7±20.0 °C(Predicted)
밀도
1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
3.74 · 3.74±0.20(Predicted)

화학적 성질

Light yellow Crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (93.5%)

안전 데이터

wgk
3
HS 번호
2933399990
risk_code
20/21/22-36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-36/37
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 1건

용도3-amino-5-fluoropyridine is an important intermediate mainly used in medicine and organic synthesis. It is used to synthesize Ivosidenib. Ivosidenib is an isocitrate dehydrogenase-1 inhibitor used to treat acute myeloid leukemia and cholangiocarcinoma in adults.

제조 방법 · 1건

synthesis of 3-Amino-5-fluoropyridine: A solution of 3-amino-2,4,6-tribromo-5-fluoropyridine (23c) (0.9 g, 2.6 mmol), triethylamine (1.1 cm3, 7.9 mmol), palladium catalyst (0.1 g of 5% Pd-C catalyst) and DCM (15 cm3) was hydrogenated on a Parr apparatus for 18 h. Water (20 cm3) was added and the mixture filtered and extracted into DCM. The DCM solution was dried (MgS04) and evaporated giving 3-amino-5-fluoropyridine (0.3 g, >95% ), m.p. 86 ·c (from DCM) (Found: C, 53.6; H, 4.6; N, 25.0. C5H5FN2 requires C, 53.6; H, 4.5 N, 25.0%);IR spectrum no. 9; mass spectrum no. 5; nmr spectrum no. 29.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]

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31건

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