Basic information
- CAS
114670-74-5- Standard SMILES
NNC(=O)Nc1cccc(F)c1- InChIKey
ZLONJOJMYMIGAX-UHFFFAOYSA-N- Molecular formula
- C7H8FN3O
- Average molar mass
- 169.16 g/mol
- Monoisotopic mass
- 169.06514005
Names & identifiers
- Preferred name
- 4-(3-Fluorophenyl)semicarbazide
- IUPAC
- 1-amino-3-(3-fluorophenyl)urea
- English name
- 4-(3-FLUOROPHENYL)SEMICARBAZIDE
- Molecular formula
- C7H8FN3O
- Molecular weight
- 169.16
Names & synonyms
114670-74-54-(3-FLUOROPHENYL)SEMICARBAZIDEDTXSID00428806RefChem:287635DTXCID80379640n-(3-fluorophenyl)hydrazinecarboxamide1-amino-3-(3-fluorophenyl)urea3-amino-1-(3-fluorophenyl)ureaMFCD00040977Hydrazinecarboxamide, N-(3-fluorophenyl)-???(3-fluorophenyl)amineSCHEMBL5113893
Show more names
4-(3-fluorophenyl)-semicarbazideZLONJOJMYMIGAX-UHFFFAOYSA-NAKOS009159195AS-65024SY333305CS-0329546ST50824948W18479
Database identifiers
- CAS
114670-74-5- PubChem CID
- 7567904
- DTXSID
DTXSID00428806- EC Number
- 680-623-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 133 · 133-135°C
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 11.52 · 11.52±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
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]
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 20/21/22
- Symbol(GHS)
- GHS06
- safety_code
- 22-36/37/39
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Compound notes
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