2-아미노-4-메톡시-벤조산

2-Amino-4-methoxybenzoic acid

HCID 351010CAS 4294-95-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(=O)O)c(N)c1
InChIKey: HHNWXQCVWVVVQZ-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 2-Amino-4-methoxybenzoic acid
IUPAC: 2-amino-4-methoxybenzoic acid
현지명: 2-아미노-4-메톡시-벤조산
영어명: 2-Amino-4-methoxy-benzoic acid
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

2-Amino-4-methoxybenzoic acidDTXSID70325772RefChem:464318DTXCID40276888630-055-14294-95-54-Methoxyanthranilic acid2-amino-4-methoxy-benzoic acidMFCD006677292-Amino-p-anisic AcidBENZOIC ACID, 2-AMINO-4-METHOXY-2-Amino-4-methoxybenzoic Acid; NSC 517873

이름 더 보기

2-아미노-4-메톡시-벤조산Metoclopramide Impurity 542-AMino-4-Metnoxybenzoic acid2-amine-4-methoxybenzoic acid2-azanyl-4-methoxy-benzoic acid

4-methoxy-anthranilic acid4-Methoxy anthranilic acidMetoclopramide Impurity 1092-Amino-4-methoxybenzoicacidSCHEMBL147211m-Anisidine-6-carboxylic Acid2-Amino-4-methoxy benzoic acid4-methoxy-2-amino-benzoic acid

데이터베이스 식별자

CAS: 4294-95-5
PubChem CID: 351010
DTXSID: DTXSID70325772
EC Number: 630-055-1
Nikkaji: J1.402.047K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 175 · 175-180 °C
끓는 점: 339.8 · 339.8±27.0 °C(Predicted)
밀도: 1.303 · 1.303±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 5.21 · 5.21±0.10(Predicted)
색상: White to Light yellow to Light orange
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H9NO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
InChIKey: HHNWXQCVWVVVQZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(OC)C=C1N

화학적 성질

Yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): 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, 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 48 reports by companies from 5 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 CategoriesAcute Tox. 4 (85.4%)；Skin Irrit. 2 (16.7%)；Eye Irrit. 2 (16.7%)；STOT SE 3 (16.7%)

안전 데이터

wgk: 3
HS 번호: 29225090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36/37/39-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

2-아미노-5-브로모-4-메톡시-벤조산메틸에스테르 6-broMo-4-클로로-7-메톡시퀴나졸린 2-아미노-4-메톡시-N-메틸벤자미드

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]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

연결된 노트

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