Methyl 4-(chlorocarbonyl)benzoate

HCID 81850CAS 7377-26-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(C(=O)Cl)cc1
InChIKey
CVXXHXPNTZBZEL-UHFFFAOYSA-N
Molecular formula
C9H7ClO3
Average molar mass
198.6 g/mol
Monoisotopic mass
198.00837176

Names & identifiers

Preferred name
Methyl 4-(chlorocarbonyl)benzoate
IUPAC
methyl 4-carbonochloridoylbenzoate
English name
Methyl 4-chlorocarbonylbenzoate
Molecular formula
C9H7ClO3
Molecular weight
198.6

Names & synonyms

7377-26-6Methyl 4-(chlorocarbonyl)benzoateMethyl 4-(chloroformyl)benzoateBenzoic acid, 4-(chlorocarbonyl)-, methyl esterEINECS 230-937-2DTXSID90224137RefChem:157567DTXCID90146628230-937-2Methyl 4-chlorocarbonylbenzoateTerephthalic Acid Monomethyl Ester Chloride4-(Chlorocarbonyl)benzoic acid methyl ester
Show more names
CL-MMTSKL743TIMTEC-BB SBB005801METHYL 4-CHLOROFORMYLBENZOATE4-CARBOMETHOXYBENZOYL CHLORIDEP-carbomethoxybenzoyl chlorideMethy 4-chlorocarbonyl benzoateMethyl terephthaloyl chlorideMethyl p-(Chlorocarbonyl)benzoate
MFCD00059486methyl 4-carbonochloridoylbenzoate4-Chlorocarbonylbenzoic acid methyl estermethyl 4-chlorocarbonyl benzoate4-(Chloroformyl)benzoic Acid Methyl Estermethyl4-(chlorocarbonyl)benzoatemethyl 4-(carboxy)benzoate4-carbomethoxybenzoylchloride

Database identifiers

CAS
7377-26-6
PubChem CID
81850
DTXSID
DTXSID90224137
EC Number
230-937-2
Nikkaji
J33.491J

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
50 · 50-59 °C
Boiling point
140 °C · 140 °C / 15mmHg
Density
1.3219 · 1.3219 (rough estimate)
refractive index
1.523 · 1.5230 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
HYDROLYSIS

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
3261
hs_code
29173990
risk_code
34-22
Signal word
Danger

Chemistry & industry

Applications · 1 item

Uses4-(Chlorocarbonyl)benzoic Acid Methyl Ester, is a building block, that can be used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of benzophenone residues and also for the synthesis of novel novel bulky hydrophobic retinoids.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

138 records
New reaction record

Linked notes

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