4-Phenylsemicarbazide hydrochloride

HCID 79505

Notes Reactions

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Basic information

CAS: 5441-14-5
Standard SMILES: Cl.NNC(=O)Nc1ccccc1
InChIKey: BNXHWDWODIHJEH-UHFFFAOYSA-N
Molecular formula: C7H10ClN3O
Average molar mass: 187.63 g/mol
Monoisotopic mass: 187.0512396

Names & identifiers

Preferred name: 4-Phenylsemicarbazide hydrochloride
IUPAC: 1-amino-3-phenylurea;hydrochloride
English name: 4-PHENYLSEMICARBAZIDE HYDROCHLORIDE
Molecular formula: C7H10ClN3O
Molecular weight: 187.63

Names & synonyms

4-Phenylsemicarbazide hydrochlorideSemicarbazide, 4-phenyl-, hydrochlorideHydrazinecarboxamide, N-phenyl-, monohydrochlorideUNII-81T730Q4PV81T730Q4PV4-Phenylsemicarbazide. hydrochlorideEINECS 226-628-7NSC 20839NSC-20839Hydrazinecarboxamide, N-phenyl-, hydrochloride (1:1)DTXSID30638874-PHENYLSEMICARBAZIDE HYDROCHLORIDE [MI]

Show more names

4-PHENYLSEMICARBAZIDE HCL1-amino-3-phenylurea,hydrochloride4-Phenylsemicarbazide hydrochloride 99%4-Phenylsemicarbazide hydrochloride,99%ZINC SULFATE HEPTAHYDRATE 99% &4-PHENYLSEMICARBAZIDE HYDROCHLORIDE 98+%n-phenyl-hydrazinecarboxamidmonohydrochlorideHydrazinecarboxamide,N-phenyl-, hydrochloride (1:1)

RefChem:100380DTXCID6041713Semicarbazide, 4-phenyl-, hydrochloride (8CI)5441-14-5N-Phenylhydrazinecarboxamide hydrochloride1-amino-3-phenylurea;hydrochlorideMFCD000129463-AMINO-1-PHENYLUREA HYDROCHLORIDE

Database identifiers

CAS: 5441-14-5
PubChem CID: 79505
DTXSID: DTXSID3063887
UNII: 81T730Q4PV
EC Number: 226-628-7

Properties

Computed structural properties

Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 215 · 215-217 °C(lit.)
solubility: alcohol: freely soluble
InChI: 1S/C7H9N3O.ClH/c8-10-7(11)9-6-4-2-1-3-5-6;/h1-5H,8H2,(H2,9,10,11);1H
InChIKey: BNXHWDWODIHJEH-UHFFFAOYSA-N
SMILES: Cl.NNC(=O)Nc1ccccc1
FDA UNII: 81 T730Q4PV · 81T730Q4PV
EPA Substance Registry System: Hydrazinecarboxamide, N-phenyl-, monohydrochloride (5441-14-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H312+H332
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHydrazinecarboxamide, N-phenyl-, hydrochloride (1:1): INACTIVE

Applications · 1 item

Uses4-Phenylsemicarbazide hydrochloride was used in the experiment to study whether i) [U-14C]palmitate and[2-14C]palmitate are metabolized to ketone bodies and ii) free glycerol was used as an energy source by the tissue from ketotic and normal sheep.