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1-(3-Chlorophenyl)-3-hydroxyurea

HCID 269503
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
28788-18-3
Standard SMILES
O=C(NO)Nc1cccc(Cl)c1
InChIKey
IKYLYRBWLURWDH-UHFFFAOYSA-N
Molecular formula
C7H7ClN2O2
Average molar mass
186.59 g/mol
Monoisotopic mass
186.0196052

Names & identifiers

Preferred name
1-(3-Chlorophenyl)-3-hydroxyurea
IUPAC
1-(3-chlorophenyl)-3-hydroxyurea
English name
3-(3-chlorophenyl)-1-hydroxy-urea
Molecular formula
C7H7ClN2O2
Molecular weight
0

Names & synonyms

1-(3-chlorophenyl)-3-hydroxyurea28788-18-3DTXSID60296644RefChem:224320DTXCID10247782N-(3-CHLOROPHENYL)-N'-HYDROXYUREANSC110671SCHEMBL11476205IKYLYRBWLURWDH-UHFFFAOYSA-NN-(3-chlorophenyl)-N'-hydroxy-ureaUrea,n-(3-chlorophenyl)-n-hydroxy-AKOS024335598
Show more names
3-(3-chlorophenyl)-1-hydroxy-urea
NSC-110671amino(3-chlorophenyl)carbohydroxamic acidDS-012554ST50550616

Database identifiers

CAS
28788-18-3
PubChem CID
269503
DTXSID
DTXSID60296644
EC Number
633-680-8

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
61.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
165

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

3 records
New reaction record
HRID 694874 reaction equation
HRID 694874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1701479 reaction equation
HRID 1701479As reactantuspto-grants-1980_03
HRID 1701480 reaction equation
HRID 1701480As reactantuspto-grants-1980_03

Compound notes

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