Basic information
- CAS
175137-25-4- Standard SMILES
Nc1cc(-c2ccc(F)cc2)nc(N)n1- InChIKey
UJHDGCSPZQBXEB-UHFFFAOYSA-N- Molecular formula
- C10H9FN4
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 204.08112447
Names & identifiers
- Preferred name
- 6-(4-Fluorophenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-(4-fluorophenyl)pyrimidine-2,4-diamine
- English name
- 2,4-DIAMINO-6-(4-FLUOROPHENYL)PYRIMIDINE
- Molecular formula
- C10H9FN4
- Molecular weight
- 204.2
Names & synonyms
175137-25-46-(4-fluorophenyl)pyrimidine-2,4-diamineDTXSID30371578RefChem:306646DTXCID403226122,4-Diamino-6-(4-fluorophenyl)pyrimidineMFCD000520762,4-Pyrimidinediamine, 6-(4-fluorophenyl)-Maybridge1_003922SCHEMBL5511069CHEMBL3929185HMS552K06
Show more names
2,4-Pyrimidinediamine,6-(4-fluorophenyl)-2,4-Diamino-6-(4-fluorophenyl)pyrimidine97%2,4-Diamino-6-(4-fluorophenyl)pyrimidine 97%2,4-DIAMINO-6-(4-FLUOROPHENYL)PYRIMIDINE ISO 9001：2015 REACH
SBB093295AKOS009156646NF57447PS-6456SB59025CS-0211547F0082752,4-diamino-6-(4-fluorophenyl)pyrimidine, AldrichCPR
Database identifiers
- CAS
175137-25-4- PubChem CID
- 2736757
- DTXSID
DTXSID30371578- ChEMBL
CHEMBL3929185- EC Number
- 671-999-4
- Nikkaji
- J1.488.714H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 164 °C · 164 °C
- Boiling point
- 493.9 · 493.9±55.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 6.56 · 6.56±0.10(Predicted)
- CAS DataBase Reference
- 175137 · 175137-25-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
Chemistry & industry
Suppliers25 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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