Methyl 4-iodobenzoate

HCID 69273
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Basic information

CAS
619-44-3
Standard SMILES
COC(=O)c1ccc(I)cc1
InChIKey
DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular formula
C8H7IO2
Average molar mass
262.04 g/mol
Monoisotopic mass
261.94907746

Names & identifiers

Preferred name
Methyl 4-iodobenzoate
IUPAC
methyl 4-iodobenzoate
English name
Methyl 4-iodobenzoate
Molecular formula
C8H7IO2
Molecular weight
262.04

Names & synonyms

Methyl 4-iodobenzoate619-44-34-Iodobenzoic acid methyl esterMethyl p-iodobenzoateBenzoic acid, 4-iodo-, methyl ester4-Iodo-benzoic acid methyl estermethyl-4-iodobenzoateMFCD00016353Benzoic acid, p-iodo-, methyl esterNSC 9393EINECS 210-597-1methyl4-iodobenzoate
Show more names
ASISCHEM Z27958RARECHEM AL BF 0710Methy14-iodobenzoateMETHYL-P-IODOBENZOATEMethyl4-Iodobenzoate>M**METHYL 4-IODOBENZOATEPemetrexed Impurities 58Methyl 4-iodobenzoate,98%
methyl 4-iodo-benzoatemethyl-4-iodo-benzoatemethyl para-iodobenzoateSCHEMBL7716Methyl 4-iodobenzoate, 97%p-iodobenzoic Acid MethylesterSCHEMBL514713SCHEMBL7594913

Database identifiers

CAS
619-44-3
PubChem CID
69273
DTXSID
DTXSID2060703
EC Number
210-597-1
Nikkaji
J96.152C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
112 · 112-116 °C
Boiling point
278.5 °C · 278.5°C (rough estimate)
Density
2.02 · 2.0200
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
Crystalline Powder
color
Beige to pale pink

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
UN 3082
hs_code
29163990
risk_code
36/37/38-51/53

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 4-iodo-, methyl ester: ACTIVE

Applications

Usessuzuki reaction

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

190 records
New reaction record

Compound notes

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