(3-브로모페닐)아세트산메틸에스테르

Methyl 2-(3-bromophenyl)acetate

HCID 11746402

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 150529-73-0
표준 SMILES: COC(=O)Cc1cccc(Br)c1
InChIKey: ULSSGHADTSRELG-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859

이름 및 식별자

우선 이름: Methyl 2-(3-bromophenyl)acetate
IUPAC: methyl 2-(3-bromophenyl)acetate
현지명: (3-브로모페닐)아세트산메틸에스테르
영어명: (3-BROMOPHENYL)ACETIC ACID METHYL ESTER
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Methyl 2-(3-bromophenyl)acetate150529-73-0Methyl 3-bromophenylacetateDTXSID40471755RefChem:813380DTXCID50422571604-742-1(3-Bromophenyl)acetic acid methyl esterBenzeneacetic acid, 3-bromo-, methyl esterMFCD06858764Methyl m-bromophenylacetate3-Bromophenylacetic acid methyl ester

이름 더 보기

(3-브로모페닐)아세트산메틸에스테르Methyl3-bromophenylacetate98%Methyl 3-bromophenylacetate 98%methyl 2-(3-bromophenyl)acetateeMethyl 2-(3-bromophenyl)acetate, 97%3-Bromophenylacetic acid methyl ester, Methyl 2-(3-bromophenyl)ethanoate

Methyl (3-bromophenyl)acetatemethyl 3-bromobenzeneacetateSCHEMBL1360543-bromophenyl acetic acid methyl esterCS-W019829PS-4897SY004524EN300-130965

데이터베이스 식별자

CAS: 150529-73-0
PubChem CID: 11746402
DTXSID: DTXSID40471755
UNII: M52JSD72XN
EC Number: 604-742-1
Nikkaji: J472.804A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 268.6 · 268.6±15.0 °C(Predicted)
밀도: 1.445 · 1.445±0.06 g/cm3(Predicted)
굴절률: 1.544 to · 1.5440 to 1.5480
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

안전 데이터

HS 번호: 2916399090
hazard_code: Xi
위험 참고 사항: Harmful/Irritant/Keep Cold

화학 및 산업

응용 분야 · 1건

용도Methyl 2-(3-bromophenyl)acetate is used as a reagent to synthesize the methyl ester derivative of (R)-Flurbiprofen (F598730). (R)-Flurbiprofen is a nonsteroidal anti-inflammatory drug that exists as a racemate and also has potential application as a treatment for patients with Alzheimer’s Disease.