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2-Chloro-N-(2-methoxyphenyl)acetamide

HCID 41647
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
55860-22-5
Standard SMILES
COc1ccccc1NC(=O)CCl
InChIKey
IBXYYSDKRPMGKD-UHFFFAOYSA-N
Molecular formula
C9H10ClNO2
Average molar mass
199.63 g/mol
Monoisotopic mass
199.0400063

Names & identifiers

Preferred name
2-Chloro-N-(2-methoxyphenyl)acetamide
IUPAC
2-chloro-N-(2-methoxyphenyl)acetamide
English name
2-Chloro-N-(2-methoxyphenyl)acetamide
Molecular formula
C9H10ClNO2
Molecular weight
199.63

Names & synonyms

2-chloro-N-(2-methoxyphenyl)acetamide55860-22-5RefChem:470046833-104-7MFCD000953942-Chloro-2'-methoxyacetanilideo-ACETANISIDIDE, 2-CHLORO-2-ChloroacetanisidideBRN 2368404Acetamide, 2-chloro-N-(2-methoxyphenyl)-AI3-23553NSC8284
Show more names
SKL827AKOS B015640ASISCHEM U00018AKOS USSH-4110470AKOS BBS-00003901CHEMBRDG-BB 3015640ART-CHEM-BB B0156402-chloro-o-acetanisidid
N-(2-methoxyphenyl)-2-chloroacetamideSCHEMBL1644854CHEMBL2164308SCHEMBL31561745DTXSID00204460IBXYYSDKRPMGKD-UHFFFAOYSA-NALBB-002271NSC 8284

Database identifiers

CAS
55860-22-5
PubChem CID
41647
DTXSID
DTXSID00204460
ChEMBL
CHEMBL2164308
EC Number
833-104-7
Nikkaji
J79.183K

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
175

Physicochemical properties

Melting point
51 °C · 51 °C(Solv: ethanol (64-17-5))
Boiling point
339 · 339.0±22.0 °C(Predicted)
Density
1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
12.27 · 12.27±0.70(Predicted)
Appearance
Light brown to brown Solid
CAS DataBase Reference
55860 · 55860-22-5(CAS DataBase Reference)
EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
HazardClass
IRRITANT
HS Code
2924297099 · 2924297099

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 · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];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, 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.;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%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

Safety data

hs_code
2924297099
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

o-AnisidineChloroacetyl chlorideAcetonitrileN,N-Diisopropylethylamine

Suppliers

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Related reactions

4 records
New reaction record
HRID 463719 reaction equation
HRID 463719As reactantuspto-grants-1985_10
HRID 728919 reaction equation
HRID 728919As reactantuspto-grants-1991_09
HRID 1216318 reaction equation
HRID 1216318As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1588975 reaction equation
HRID 1588975As reactantuspto-grants-1993_06

Compound notes

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