메틸2-메틸-3-니트로벤조에이트

Methyl 2-methyl-3-nitrobenzoate

HCID 601165CAS 59382-59-1

기본 정보

표준 SMILES
COC(=O)c1cccc([N+](=O)[O-])c1C
InChIKey
CRZGFIMLHZTLGT-UHFFFAOYSA-N
분자식
C9H9NO4
평균 분자량
195.17 g/mol
단동위원소 질량
195.05315777

이름 및 식별자

우선 이름
Methyl 2-methyl-3-nitrobenzoate
IUPAC
methyl 2-methyl-3-nitrobenzoate
현지명
메틸2-메틸-3-니트로벤조에이트
영어명
Methyl 2-methyl-3-nitrobenzoate
분자식
C9H9NO4
분자량
195.17

이름 및 동의어

Methyl 2-methyl-3-nitrobenzoate59382-59-1DTXSID30345017RefChem:354385DTXCID90296091640-506-4MFCD00082564Benzoic acid, 2-methyl-3-nitro-, methyl esterMethyl 3-nitro-o-toluate2-Methyl-3-nitrobenzoic Acid Methyl EsterMethyl2-Methyl-3-nitrobenzoatemethyl 2-methyl-3-nitro-benzoate
이름 더 보기
메틸2-메틸-3-니트로벤조에이트DK835Methyl 2-methyl-3-Lenalidoide Ipurity 232-Methyl-3-nitrobenzoateMethyl 3-nitro-2-methylbenzoateMethyl 2-Methyl-3-Nitro-BenzoateeMethyl2-Methyl-3-nitrobenzoate>3-NITRO-0-TOLUIC ACID METHYL ESTER
Benzoic acid, 2-methyl-3-nitro-, methyl ester; o-Toluic acid, 3-nitro-, methyl ester (6CI); 2-Methyl-3-nitrobenzoic acid methyl ester; Methyl 2-methyl-3-nitrobenzoate; Methyl 3-nitro-2-methylbenzoateLenalidomide Impurity 12K93HM6K2VMSCHEMBL307312SCHEMBL29959661ALBB-023475CS-B0152Methyl 2-methyl-3-nitrobenzoate #

데이터베이스 식별자

CAS
59382-59-1
PubChem CID
601165
DTXSID
DTXSID30345017
UNII
K93HM6K2VM
EC Number
640-506-4
Nikkaji
J1.639.724E

물성

구조 계산 물성

XLogP
2
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
62 · 62-65 °C (lit.)
끓는 점
286.6 · 286.6±20.0 °C(Predicted)
밀도
1 · 1+-.0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됩니다.
물리적 상태
고체

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): 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.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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

Regulatory InformationStatus: Active Update: 07-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34123
Hazard Classes and CategoriesSkin Irrit. 2 (75%);Eye Irrit. 2A (75%);STOT SE 3 (75%)

규제 정보

Regulatory InformationStatus: Active Update: 07-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34123

안전 데이터

wgk
3
HS 번호
29163990
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Methyl 2-methyl-3-nitrobenzoate is an important organic synthetic material and pharmaceutical intermediate compound. It can be used for the preparation of the anticancer drug lenalidomide as well as other organic compounds (e.g., indole-4-carboxylic acid methyl ester, 5-nitroisocoumarin, 5-aminoisoquinolin-1(2H)-one, etc.).

용도Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of methyl indole-4-carboxylate, 5-aminoisoquinolin-1(2H)-one, 5-nitroisocoumarin and [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone. It may also be used in the preparation of substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO; and 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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93건

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