2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID

Modify Date: 2025-08-26 19:33:47

2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID Structure
2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID structure
Common Name 2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID
CAS Number 99070-18-5 Molecular Weight 243.09700
Density 1.457g/cm3 Boiling Point 342.1ºC at 760 mmHg
Molecular Formula C10H11BrO2 Melting Point N/A
MSDS N/A Flash Point 160.7ºC

 Names

Name 2-(4-bromophenyl)butanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.457g/cm3
Boiling Point 342.1ºC at 760 mmHg
Molecular Formula C10H11BrO2
Molecular Weight 243.09700
Flash Point 160.7ºC
Exact Mass 241.99400
PSA 37.30000
LogP 3.02730
Index of Refraction 1.564
InChIKey XVEFRABIRRNWFO-UHFFFAOYSA-N
SMILES CCC(C(=O)O)c1ccc(Br)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES8060000
CHEMICAL NAME :
Butyric acid, 2-(p-bromophenyl)-
CAS REGISTRY NUMBER :
99070-18-5
BEILSTEIN REFERENCE NO. :
3259841
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-Br-O2
MOLECULAR WEIGHT :
243.12
WISWESSER LINE NOTATION :
QVY2&R DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,286,1958

 Safety Information

Hazard Codes Xi
HS Code 2916399090

 Synthetic Route

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2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID Structure

2-CHLORO-3-ETHO...

CAS#:99070-18-5

Literature: Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1704 - 1711

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2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID Structure

2-CHLORO-3-ETHO...

CAS#:99070-18-5

Literature: Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1704 - 1711

~%

2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID Structure

2-CHLORO-3-ETHO...

CAS#:99070-18-5

Literature: Journal of the American Chemical Society, , vol. 133, # 31 p. 11936 - 11939

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2-CHLORO-3-ETHOXY-6-BROMOPHENYLBORONIC ACID Structure

2-CHLORO-3-ETHO...

CAS#:99070-18-5

Literature: DE708202 , ; DRP/DRBP Org.Chem. Farmaco, Edizione Scientifica, , vol. 13, p. 286,291

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

bromophenylbutanoicacid
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