Basic information
- CAS
537-47-3- Standard SMILES
NNC(=O)Nc1ccccc1- InChIKey
MOCKWYUCPREFCZ-UHFFFAOYSA-N- Molecular formula
- C7H9N3O
- Average molar mass
- 151.17 g/mol
- Monoisotopic mass
- 151.07456192
Names & identifiers
- Preferred name
- 4-Phenylsemicarbazide
- IUPAC
- 1-amino-3-phenylurea
- English name
- 4-PHENYLSEMICARBAZIDE
- Molecular formula
- C7H9N3O
- Molecular weight
- 151.17
Names & synonyms
Show more names
Database identifiers
- CAS
537-47-3- PubChem CID
- 10837
- DTXSID
DTXSID80201957- ChEBI
CHEBI:168436- UNII
- BPU96SX57A
- EC Number
- 208-669-2
- Nikkaji
- J134.375K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 122 · 122-125 °C(lit.)
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.21 · 1.2100 (rough estimate)
- refractive index
- 1.586 · 1.5860 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 10.52 · 10.52±0.20(Predicted)
- color
- White to Almost white
- Water Solubility
- 699.5 mg/L · 699.5mg/L(15 ºC)
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,7312
- BRN
- 511107 · 511107
- CAS DataBase Reference
- 537 · 537-47-3(CAS DataBase Reference)
- FDA UNII
- 96 SX57A · BPU96SX57A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-23
- HS Code
- 2928 · 2928.00.5000
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory information
Safety data
- F
- 8-10-23
- wgk
- 3
- hs_code
- 2928.00.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4-PHENYLSEMICARBAZIDE is a reagent for determining ketones and aldehydes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
Additional notes
DefinitionChEBI: Chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a is a member of ureas.
Related reactions
Compound notes
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