Basic information
- CAS
137553-48-1- Standard SMILES
Nc1ncnc2cccc(F)c12- InChIKey
KKLLTCMELJRTDI-UHFFFAOYSA-N- Molecular formula
- C8H6FN3
- Average molar mass
- 163.15 g/mol
- Monoisotopic mass
- 163.05457537
Names & identifiers
- Preferred name
- 5-Fluoroquinazolin-4-amine
- IUPAC
- 5-fluoroquinazolin-4-amine
- English name
- 4-Amino-5-fluoroquinazoline
- Molecular formula
- C8H6FN3
- Molecular weight
- 163.15
Names & synonyms
5-fluoroquinazolin-4-amineRefChem:536003670-896-1137553-48-14-Amino-5-FluoroquinazolineMFCD001530644-Quinazolinamine, 5-fluoro-5-fluoroquinazoline-4-ylamineSCHEMBL2124702DTXSID20351960KKLLTCMELJRTDI-UHFFFAOYSA-NHMS1668L14
Show more names
5-FLUOROQUINAZOLIN-4-YLAMINE4-Amino-5-fluoroquinazoline98%4-Amino-5-fluoroquinazoline 98%4-Amino-5-fluoroquinazoline 95+%
5-fluoroquinazolin-4-amine, 4-amino-5-fluoro-1,3-benzodiazineCCG-44808SBB070099AKOS005203452FS-1066DB-042397CS-0084745EN300-51566
Database identifiers
- CAS
137553-48-1- PubChem CID
- 715331
- DTXSID
DTXSID20351960- EC Number
- 670-896-1
- Nikkaji
- J433.320I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 212 · 212-214°C
- Boiling point
- 331.8 · 331.8±27.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 7.04 · 7.04±0.43(Predicted)
- form
- Solid
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 137553 · 137553-48-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers35 total
Sichuan Biosynce Pharmatech Co., Ltd.[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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南通博苏医药科技有限公司0513-51005092 15962844273 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
2 records
Compound notes
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