CAS 74896-66-5 Methyl 3,5-dibromo-4-methylbenzoate (HCID 624016)

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Basic information

CAS: 74896-66-5
Standard SMILES: COC(=O)c1cc(Br)c(C)c(Br)c1
InChIKey: SRLAXDDPVYZYNI-UHFFFAOYSA-N
Molecular formula: C9H8Br2O2
Average molar mass: 307.97 g/mol
Monoisotopic mass: 305.8891037

Names & identifiers

Preferred name: Methyl 3,5-dibromo-4-methylbenzoate
IUPAC: methyl 3,5-dibromo-4-methylbenzoate
English name: Methyl 3,5-dibromo-4-methylbenzoate
Molecular formula: C9H8Br2O2
Molecular weight: 307.97

Names & synonyms

Methyl 3,5-dibromo-4-methylbenzoate74896-66-53,5-Dibromo-4-methylbenzoic Acid Methyl EsterDTXSID10347630RefChem:814665DTXCID40298702616-164-7Methyl 3,5-Dibromo-p-toluateMFCD000107293,5-Dibromo-p-toluic Acid Methyl Estermethyl 3,5-dibromo-4-methyl-benzoateSCHEMBL1070461

Show more names

3,5-dibromo-4-methyl benzoateMethyl3,5-Dibromo-4-methylbenzoate>3,5-DIBROMO-P-TOLUIC ACID METHYL ESTERBenzoic acid, 3,5-dibroMo-4-Methyl-, Methyl esterMethyl 3,5-dibromo-p-toluate, 2,6-Dibromo-4-(methoxycarbonyl)toluene3,5-Dibromo-p-toluic Acid Methyl Ester 3,5-Dibromo-4-methylbenzoic Acid Methyl Ester Methyl 3,5-Dibromo-p-toluate

BBL018957STL119724AKOS005133995FM71024PS-7095SY049503DB-055921CS-0179383

Database identifiers

CAS: 74896-66-5
PubChem CID: 624016
DTXSID

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 88 · 88-90 °C(lit.)
Boiling point: 314 · 314.0±37.0 °C(Predicted)
Density: 1.75 · 1.750±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: powder to crystal
color: White to Almost white
BRN: 2580945 · 2580945
CAS DataBase Reference: 74896 · 74896-66-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.