Carbamic acid, N-(3-hydroxyphenyl)-, ethyl ester

HCID 23548
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Basic information

CAS
7159-96-8
Standard SMILES
CCOC(=O)Nc1cccc(O)c1
InChIKey
KCLZXXMMEDEBMF-UHFFFAOYSA-N
Molecular formula
C9H11NO3
Average molar mass
181.19 g/mol
Monoisotopic mass
181.07389321

Overview

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Names & identifiers

Preferred name
Carbamic acid, N-(3-hydroxyphenyl)-, ethyl ester
IUPAC
ethyl N-(3-hydroxyphenyl)carbamate
English name
Ethyl (3-hydroxyphenyl)carbamate
Molecular formula
C9H11NO3
Molecular weight
181.19

Names & synonyms

Carbamic acid, N-(3-hydroxyphenyl)-, ethyl esterRefChem:574002Ethyl (3-hydroxyphenyl)carbamate7159-96-8Ethyl N-(3-hydroxyphenyl)carbamateEthyl 3-hydroxyphenylcarbamate3-CarbethoxyaminophenolEthyl m-hydroxycarbanilateEthyl 3-hydroxycarbanilate(3-Hydroxyphenyl)carbamic acid ethyl esterm-Hydroxycarbanilic acid ethyl esterMFCD00463773
Show more names
AKOS BBS-00008072desmedipham-metaboliteethylm-hydroxycarbanilateethyl3-hydroxycarbanilateEthyl-3-hydroxyphenolcarbamateethyln-(3-hydroxyphenyl)carbamate
Carbamic acid, (3-hydroxyphenyl)-, ethyl ester3-Ethyloxycarbonylaminophenol4X2HYG86P1ethyl-N-(3-hydroxyphenyl)-carbamateNSC-222551ethoxy-N-(3-hydroxyphenyl)carboxamidem-(Ethoxycarbonylamino)phenol3-(Ethoxycarbonylamino)phenol

Database identifiers

CAS
7159-96-8
PubChem CID
23548
DTXSID
DTXSID6064581
UNII
4X2HYG86P1
Nikkaji
J42.849C

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point
95 °C · 95 °C
Boiling point
314.29 °C · 314.29°C (rough estimate)
Density
1.2375 · 1.2375 (rough estimate)
refractive index
1.527 · 1.5270 (estimate)
storage temp.
2 · 2-8°C
solubility
Ethyl Acetate

Safety & regulation

Hazard information

Regulatory InformationCommission Regulation No 844/2012

Safety data

tsca
TSCA listed
hs_code
2924.99.9500
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
REACH Registrations
Inactive

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationCarbamic acid, N-(3-hydroxyphenyl)-, ethyl ester: INACTIVE
Applications · 1 item

Uses3-Ethyloxycarbonylaminophenol is an intermediate in the synthesis of Phenmedipham-ethyl (P314605), an impurity of Phenmedipham (P314600); a carbanilate selective herbicide used post-emergence in beet crops after the emergence of most broad-leaved weeds and before they develop.

Upstream & downstream products

Suppliers56 total

河南萨克斯生物科技有限公司13803717460 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

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Compound notes

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