Methyl 4-bromo-3-nitrobenzoate

HCID 2736829CAS 2363-16-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIKey
BNNDHGPPQZVKMX-UHFFFAOYSA-N
분자식
C8H6BrNO4
평균 분자량
260.04 g/mol
단동위원소 질량
258.94802

이름 및 식별자

우선 이름
Methyl 4-bromo-3-nitrobenzoate
IUPAC
methyl 4-bromo-3-nitrobenzoate
영어명
Methyl 4-bromo-3-nitrobenzoate
분자식
C8H6BrNO4
분자량
260.04

이름 및 동의어

methyl 4-bromo-3-nitrobenzoate2363-16-8DTXSID70371633RefChem:355625DTXCID90322667640-148-94-bromo-3-nitrobenzoic acid methyl ester4-Bromo-3-nitro-benzoic acid methyl esterBenzoic acid, 4-bromo-3-nitro-, methyl esterMFCD00553089SCHEMBL1479880AB3929
이름 더 보기
RARECHEM AH CK 00433- nitro-4-bromobenzoatemethyl 3-nitro-4-bromobenzoate4-Bromo-3-nitro-benzoic acid metMethyl4-Bromo-3-nitrobenzoate>Methyl 4-bromo-3-nitrobenzoate ,98%
BBL023179STL289871AKOS008903033CS-W005350PS-6037M25962-Bromo-5-(methoxycarbonyl)nitrobenzenemethyl 4-bromo-3-nitro-benzoate

데이터베이스 식별자

CAS
2363-16-8
PubChem CID
2736829
DTXSID
DTXSID70371633
EC Number
640-148-9
Nikkaji
J258.234A

물성

구조 계산 물성

XLogP
2.3
극성 표면적
72.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
14

물리화학적 성질

녹는점
102 · 102-103°C
끓는 점
320.9 · 320.9±22.0 °C(Predicted)
밀도
1.673 · 1.673±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
톨루엔에 용해됨
물리적 상태
powder to crystal

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)

안전 데이터

HS 번호
2916399090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Methyl 4-bromo-3-methylbenzoate, an aromatic ester, undergoes Suzuki coupling with 2-chloroboronic acid to afford the corresponding biaryl.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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