Ethyl 4-(bromomethyl)benzoate

HCID 954261
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Basic information

CAS
26496-94-6
Standard SMILES
CCOC(=O)c1ccc(CBr)cc1
InChIKey
TWQLMAJROCNXEA-UHFFFAOYSA-N
Molecular formula
C10H11BrO2
Average molar mass
243.1 g/mol
Monoisotopic mass
241.99424

Names & identifiers

Preferred name
Ethyl 4-(bromomethyl)benzoate
IUPAC
ethyl 4-(bromomethyl)benzoate
English name
Ethyl 4-(bromomethyl)benzoate
Molecular formula
C10H11BrO2
Molecular weight
243.1

Names & synonyms

Ethyl 4-(bromomethyl)benzoate26496-94-6Ethyl 4-bromomethylbenzoateDTXSID00359262RefChem:595243DTXCID80310316607-949-54-(Bromomethyl)benzoic acid ethyl esterBenzoic acid, 4-(bromomethyl)-, ethyl esterMFCD037913074-Ethoxycarbonylbenzyl bromideEthyl (4-Bromomethyl)benzoate
Show more names
4-(methyl bromide) ethyl benzoateETHYL (4-BROMOMETHYL) BENZOATE (SB290160007)4-(Bromomethyl)benzoic acid ethyl ester~4-Ethoxycarbonylbenzyl bromide4-(Ethoxycarbonyl)benzyl bromide, alpha-Bromo-4-(ethoxycarbonyl)toluene
4-Bromomethyl-benzoic acid ethyl esterEthyl4-(bromomethyl)benzoate4-Carboethoxy-benzylbromide4-Carboethoxybenzyl bromideethyl 4-bromomethyl-benzoateethyl p-(bromomethyl)benzoateethyl-4-(bromomethyl)benzoateSCHEMBL245250

Database identifiers

CAS
26496-94-6
PubChem CID
954261
DTXSID
DTXSID00359262
EC Number
607-949-5
Nikkaji
J558.646A

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
40 °C · 40°C
Boiling point
145 °C · 145°C 5mm
Density
1.402 · 1.402±0.06 g/cm3(Predicted)
refractive index
1.5494 · 1.5494
Flash point
145 °C/5mm · 145°C/5mm
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (76.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (70.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H400 (94.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (94.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (76.5%)；Skin Corr. 1B (100%)；Skin Sens. 1 (70.6%)；Aquatic Acute 1 (94.1%)；Aquatic Chronic 1 (94.1%)

Safety data

ridadr
1759
hs_code
2916399090
risk_code
22-34
Signal word
Danger
Symbol(GHS)
GHS05,GHS09
hazard_code
C

Chemistry & industry

Applications

Uses4-​(bromomethyl)​-​Benzoic acid ethyl ester is a brominated aromatic building block used in various syntheses such as the preparation of imidazoles and imidazo-fused heterocycles.

Uses4-(bromomethyl)-Benzoic acid ethyl ester is a brominated aromatic building block used in various syntheses such as the preparation of imidazoles and imidazo-fused heterocycles.

Upstream & downstream products

Suppliers71 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

93 records
New reaction record

Compound notes

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