3-Aminobenzoic Acid (HCID 7419)

이름 및 식별자

우선 이름: 3-Aminobenzoic Acid
IUPAC: 3-aminobenzoic acid
현지명: 3-아미노벤조산
영어명: 3-Aminobenzoic acid
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

3-AMINOBENZOIC ACID99-05-8m-Aminobenzoic acidm-CarboxyanilineBenzoic acid, 3-amino-3-CarboxyanilineMABAG2X3B3O37UNSC-15012DTXSID3059183CHEBI:42682meta-aminobenzoic acid

이름 더 보기

3-아미노벤조산3-aminobenzoicMETA AMINO BENZOIC ACID3-Abz-OHH-3-ABZ-OHH-M-ABZ-OHBenzaminicacid

RefChem:92961DTXCID8049092202-724-4Benzoic acid, m-amino-Aniline-3-carboxylic acidMFCD00007795Mesalazine EP Impurity Dm-Aminobenzoesaeure

데이터베이스 식별자

CAS: 99-05-8
PubChem CID: 7419
DTXSID: DTXSID3059183
ChEMBL: CHEMBL307782
ChEBI: CHEBI:42682
UNII: G2X3B3O37U
EC Number: 202-724-4
Nikkaji: J43.331D

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

LogP0.65

Solubility · 2건

5.9 mg/mL at 15 °C

>20.6 [ug/mL] (The mean of the results at pH 7.4)

Melting Point173 °C

Vapor Pressure0.000278 [mmHg]

Physical Description · 2건

Solid; [Merck Index]

Solid

Ionization Efficiency · 6건

Positive

3.25

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: 178 · 178-180 °C(lit.)
끓는 점: 251.96 °C · 251.96°C (rough estimate)
밀도: 1 · 1,51 g/cm3
굴절률: 1.5323 · 1.5323 (estimate)
인화점: 150 °C · 150 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 5.9 g/L · 5.9g/L(15°C)
산도 계수 (pKa): 4.78 · 4.78(at 25℃)
물리적 상태: 가루
색상: 흰색 갈색 ~ 베이지 갈색
냄새: 냄새 없는
수용성: 5.9 g/L · 5.9g/L(15℃)
Merck: 14 · 14,421
BRN: 471603 · 471603
Henry's Law Constant: 3.7 · 3.7×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)C(O)=O
LogP: 0.65 · 0.650
NIST: 3 · Benzoic acid, 3-amino-(99-05-8)
EPA: 3 · Benzoic acid, 3-amino- (99-05-8)

화학적 성질

White to off white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): 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, 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 52 reports by companies from 9 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

Regulatory Information · 3건

Chemical: Benzoic acid, 3-amino-

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22177

Benzoic acid, 3-amino-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryMay cause irritation; May induce methemoglobinemia; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (78.8%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (96.2%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

규제 정보

Regulatory Information · 3건

Chemical: Benzoic acid, 3-amino-

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22177

Benzoic acid, 3-amino-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DG1225000
HS 번호: 29224995
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-amino-: ACTIVE

응용 분야 · 2건

용도3-Aminobenzoic acid is used as an intermediate for dyes, pesticides and other organic synthesis.

일반 설명3-Aminobenzoic acid, popularly known as Mesalazine Impurity E, is a related compound of anti-inflammatory agent Mesalazine. Mesalazine belongs to a group of drugs referred to as aminosalicylates and is generally used in the treatment of inflammatory bowel disease.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

제조 방법

3-Aminobenzoic acid is prepared by the reduction of 3-nitrobenzoic acid and used in dye syntheses. Its derivative N,N-dimethyl-3- aminobenzoic acid is also used in the production of dyes.

상·하류 제품 정보

상류 원료

하류 제품

3-Chlorosulfonyl-benzoic acid methyl ester 2-트리플루오로메틸퀴놀린-7-카르복실산 3-(Methanesulfonylamino)benzoic acid Methyl 3-aminobenzoate 3-아미노벤조산 에틸에스터 3-아미노-2,4,6-트리요오드벤조산 3-Iodobenzoic acid 이나트륨3,3'-[카르보닐비스[이미노(3-메톡시-4,1-페닐렌)아조]]디벤조에이트 3-(1H-PYRAZOL-1-YL)벤조산 Quinoline-5-carboxylic acid 3-Aminobenzylalcohol 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京海步医药科技有限公司67886402 15600038801 · [email protected]

연결된 노트

불러오는 중…

3-아미노벤조산

기본 정보