2-Amino-5-fluorobenzene-1-thiol
Completing data — refresh the page later to see the latest
Basic information
- CAS
33264-82-3- Standard SMILES
Nc1ccc(F)cc1S- InChIKey
UPEWNVDJDYMWIV-UHFFFAOYSA-N- Molecular formula
- C6H6FNS
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.02049841
Names & identifiers
- Preferred name
- 2-Amino-5-fluorobenzene-1-thiol
- IUPAC
- 2-amino-5-fluorobenzenethiol
- English name
- 2-Amino-5-fluorobenzenethiol
- Molecular formula
- C6H6FNS
- Molecular weight
- 143.18
Names & synonyms
2-amino-5-fluorobenzene-1-thiolRefChem:464598846-234-42-amino-5-fluorobenzenethiol33264-82-32-Amino-5-fluorothiophenolBenzenethiol, 2-amino-5-fluoro-NSC-2686515-fluoro-2-aminobenzenethiolMFCD09909740NSC268651DJ2XH5WHF9
Show more names
NSC 268651(4-Fluoro-2-mercaptophenyl)amine
2-amino-5-fluorobenzenethioSCHEMBL2464299SCHEMBL29895666DTXSID80313302UPEWNVDJDYMWIV-UHFFFAOYSA-N4-FLUORO-2-MERCAPTOANILINESTL289204AKOS000298993
Database identifiers
- CAS
33264-82-3- PubChem CID
- 320547
- DTXSID
DTXSID80313302- UNII
- DJ2XH5WHF9
- EC Number
- 846-234-4
- Nikkaji
- J1.021.695H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 186 ℃ · 186℃
- Boiling point
- 240 ℃ · 240℃
- Density
- 1.319 · 1.319
- Flash point
- 99 ℃ · 99℃
- pka
- 8.47 · 8.47±0.10(Predicted)
- FDA UNII
- 2 XH5WHF9 · DJ2XH5WHF9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
12 records
Compound notes
Loading…