4-(Methylamino)benzoic acid

HCID 66345CAS 10541-83-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CNc1ccc(C(=O)O)cc1
InChIKey
ZVIDMSBTYRSMAR-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

개요

N-Methyl-4-aminobenzoate is an aminobenzoic acid.

이름 및 식별자

우선 이름
4-(Methylamino)benzoic acid
IUPAC
4-(methylamino)benzoic acid
영어명
4-(Methylamino)benzoic acid
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

4-(Methylamino)benzoic acid10541-83-0Benzoic acid, 4-(methylamino)-4-Methylaminobenzoic acidN-Methyl-4-aminobenzoic acid4-(N-Methylamino)benzoic acidp-Methylaminobenzoic acidBenzoic acid, p-(methylamino)-ARU98Z0OZYNSC-102506DTXSID8065117RefChem:516328
이름 더 보기
4-MABANSC 1025064-(methylamino)benzoateBenzoic acid Impurity 4Balofloxacin Impurity 2Benzoic acid Impurity 114-(methylamino)-benzoicaciPARA-METHYLAMINOBENZOICACID
DTXCID4032956234-121-7N-Methyl-4-aminobenzoatep-(Methylamino)benzoic acidMFCD00002535p-Carboxy-N-methylanilinep-(N-Methylamino)benzoic acid4-Methylamino-benzoic acid

데이터베이스 식별자

CAS
10541-83-0
PubChem CID
66345
DTXSID
DTXSID8065117
ChEMBL
CHEMBL3098156
ChEBI
CHEBI:7308
UNII
ARU98Z0OZY
EC Number
234-121-7
Nikkaji
J139.221B

물성

구조 계산 물성

XLogP
2.2
극성 표면적
49.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
160 · 160-162 °C (lit.)
끓는 점
273.17 °C · 273.17°C (rough estimate)
밀도
1.2023 · 1.2023 (rough estimate)
굴절률
1.581 · 1.5810 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
약간 용해됨. 알코올에 용해됩니다.

화학적 성질

white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 21-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24568
Hazards SummaryAn eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (10541-83-0[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See p-Aminosalicylic acid.
Hazard Classes and CategoriesAcute Tox. 4 (89.8%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
2922290090
risk_code
22-43-36/37/38-51/53-40
hazard_code
Xn,Xi,N
safety_code
36/37-37/39-26-61

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-(methylamino)-: INACTIVE

응용 분야

개요4-(Methylamino) benzoic acid is an important intermediate for production of pharmaceutical products, dyes, flavors and preservatives.

용도4-(Methylamino)benzoic acid important for the preparation of other pharmaceutical products, dyes, flavors, and preservatives. .For the preparation of medicines and other fine chemicals.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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