4-Phenylsemicarbazide hydrochloride

CAT: 0286-P15670Size: 10 gDry Ice: NoHazardous: No

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CAT#:0286-P15670Size:10 g

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CAS Number

5441-14-5

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00012946

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

DOT Name

Not D.O.T.-Regulated

Precautions

P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4-Phenylsemicarbazide hydrochloride

CAS Number	5441-14-5
PubChem CID	79505
IUPAC Name	1-amino-3-phenylurea;hydrochloride
Molecular Formula	C7H10ClN3O
Molecular Weight	187.63
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	132

SMILES

C1=CC=C(C=C1)NC(=O)NN.Cl

InChI

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

Chemical Structure

2D Structure

CAS: 5441-14-5

CID: 79505

Formula: C7H10ClN3O

MW: 187.63

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	187.63
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	187.0512396
Monoisotopic Mass	187.0512396
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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4-Phenylsemicarbazide hydrochloride

Chemical Information

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