3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

HCID 78212
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Basic information

CAS
4462-55-9
Standard SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl
InChIKey
IZQGELJKDARDMZ-UHFFFAOYSA-N
Molecular formula
C11H6Cl3NO2
Average molar mass
290.5 g/mol
Monoisotopic mass
288.94641147

Names & identifiers

Preferred name
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
IUPAC
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
English name
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
Molecular formula
C11H6Cl3NO2
Molecular weight
290.53

Names & synonyms

4462-55-93-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chlorideDTXSID1057747PB71YVH5F24-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-EINECS 224-723-83-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chlorideDTXCID20315363-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chlorideRefChem:490152224-723-8Dcimc chloride
Show more names
D4776Dizole chlorideSide chain of DicloxacilinDcimc chloride, 10 mM in DMSO3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLEDICHLOROPHENYL-5-METHYLISOXAZOLE-4-CARBONYLCHLORIDE3-(2,6-DICHLOROPHENYL)-5-METHYL-4-CHLOROCARBONYL ISOXAZOLE3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonylchlorid3-(2-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchlorideMFCD000525563-(2,6-Dichlorophenyl)-5-methyl isoxazole-4-carbonyl chlorideC11H6Cl3NO2UNII-PB71YVH5F2orb1222253orb1303950

Database identifiers

CAS
4462-55-9
PubChem CID
78212
DTXSID
DTXSID1057747
ChEMBL
CHEMBL3183862
UNII
PB71YVH5F2
EC Number
224-723-8
Nikkaji
J185.665K

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Melting point
92 °C · 92 °C
Boiling point
390.9 · 390.9±42.0 °C(Predicted)
Density
1.472 · 1.472±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 25℃
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (56.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20648
Hazard Classes and CategoriesSkin Corr. 1B (56.5%)

Safety data

tsca
TSCA listed
ridadr
3261
hs_code
2934999090
risk_code
34
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-: ACTIVE

Applications

Uses3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.

Upstream & downstream products

Suppliers98 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

24 records
New reaction record

Compound notes

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