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ChemicalBook--->CAS DataBase List--->99-40-1

99-40-1

99-40-1 Structure

99-40-1 Structure
IdentificationMore
[Name]

2-Chloro-3',4'-dihydroxyacetophenone
[CAS]

99-40-1
[Synonyms]

2-CHLORO-1-(3,4-DIHYDROXY-PHENYL)-ETHANONE
2-CHLORO-3',4'-DIHYDROXYACETOPHENONE
3',4'-DIHYDROXY-2-CHLORO ACETOPHENONE
3,4-DIHYDROXY-2'-CHLOROACETOPHENONE
3,4-DIHYDROXYPHENACYL CHLORIDE
3,4-DIHYDROXY-W-CHLOROACETOPHENONE
4-(CHLORACETAL)CATECHOL
4-(CHLOROACETO)CATECHOL
4-(CHLOROACETYL)-1,2-DIHYDROXYBENZENE
4-(CHLOROACETYL)CATECHOL
4-(CHLOROACETYL)PYROCATECHOL
A-CHLORO-3',4'-DIHYDROXYACETOPHENONE
CHLOROACETOPYROCATECHOL
CHLOROACETYL PYROCATECHOL
P-CHLOROACETYLCATECHOL
Chloracetylcatechol
Chloroaceto catechol
3,4-Dihydroxy-alfa-chloroacetophenone
3,4-Dihydroxy-A-Chloroacetophenone
2-Chloro-3',4'-dihydroxyacetop
[EINECS(EC#)]

202-754-8
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD00002200
[Molecular Weight]

186.59
[MOL File]

99-40-1.mol
Chemical PropertiesBack Directory
[Melting point ]

174-176 °C(lit.)
[Boiling point ]

418.7±35.0 °C(Predicted)
[density ]

1.444±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO, methanol.
[form ]

neat
[pka]

7.59±0.20(Predicted)
[color ]

White to Pale Beige
[BRN ]

2092660
[InChI]

InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
[InChIKey]

LWTJEJCZJFZKEL-UHFFFAOYSA-N
[SMILES]

C(=O)(C1=CC=C(O)C(O)=C1)CCl
[CAS DataBase Reference]

99-40-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29252900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phosphorus oxychloride-->Chloroacetic acid-->Catechol
[Preparation Products]

Adrenalone-->Dipivefrine-->1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino] hydrochloride-->1,2-Benzenediol, 4-(2-chloroethyl)--->Methenamine Related Compound 1-->Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester (9CI)-->1,2-Benzenediol,4-(2-amino-4-thiazolyl)-(9CI)
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

2-Chloro-3',4'-dihydroxyacetophenone is used as a styptic adrenobazone, quasi adrenaline drug gasp spirit of intermediates.
[Definition]

ChEBI: 2-chloro-3',4'-dihydroxyacetophenone is an alpha-chloroketone, a member of acetophenones and an aromatic ketone.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-3',4'-dihydroxyacetophenone(99-40-1)MS
2-Chloro-3',4'-dihydroxyacetophenone(99-40-1)1HNMR
2-Chloro-3',4'-dihydroxyacetophenone(99-40-1)IR1
2-Chloro-3',4'-dihydroxyacetophenone(99-40-1)IR2
2-Chloro-3',4'-dihydroxyacetophenone(99-40-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

[Sigma Aldrich]

99-40-1(sigmaaldrich)
[TCI AMERICA]

4-(Chloroacetyl)catechol,>97.0%(T)(99-40-1)
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