3-아미노-4-메톡시벤즈아닐리드

3-Amino-4-methoxybenzanilide

HCID 8426CAS 120-35-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(=O)Nc2ccccc2)cc1N
InChIKey: LHMQDVIHBXWNII-UHFFFAOYSA-N
분자식: C14H14N2O2
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.10552769

이름 및 식별자

우선 이름: 3-Amino-4-methoxybenzanilide
IUPAC: 3-amino-4-methoxy-N-phenylbenzamide
현지명: 3-아미노-4-메톡시벤즈아닐리드
영어명: 3-Amino-4-methoxybenzanilide
분자식: C14H14N2O2
분자량: 242.27

이름 및 동의어

3-Amino-4-methoxybenzanilide120-35-43-Amino-4-methoxy-N-phenylbenzamide3-Amino-p-anisanilideBenzamide, 3-amino-4-methoxy-N-phenyl-p-Anisanilide, 3-amino-3-Amino-4-methoxy benzanilideBENZANILIDE, 3-AMINO-4-METHOXY-EINECS 204-388-4NSC 50647V5Y646AW8SNSC-50647

이름 더 보기

3-아미노-4-메톡시벤즈아닐리드Red based KDAMBAAMANRed KD BaseFAST RED KD BASELABOTEST-BB LT011385454-Methoxy-3-aminobenzanilide3-amino-4-methoxy-benzanilid

DTXSID0051607LHMQDVIHBXWNII-UHFFFAOYSA-EC 204-388-4RefChem:497289DTXCID1030159p-Anisanilide, 3-amino-(8CI)204-388-4InChI=1/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)

데이터베이스 식별자

CAS: 120-35-4
PubChem CID: 8426
DTXSID: DTXSID0051607
UNII: V5Y646AW8S
EC Number: 204-388-4
Nikkaji: J5.324D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 277

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionCBI

물리화학적 성질

녹는점: 154 · 154-156°C
끓는 점: 385.1 °C · 385.1°C (rough estimate)
밀도: 1.1338 · 1.1338 (rough estimate)
증기압: 0 · 0-0Pa at 25℃
굴절률: 1.6419 · 1.6419 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.44 · 13.44±0.70(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKey: LHMQDVIHBXWNII-UHFFFAOYSA-N
SMILES: C(NC1=CC=CC=C1)(=O)C1=CC=C(OC)C(N)=C1
LogP: 2.08 at · 2.08 at 23℃ and pH7
EPA: 3 · Benzamide, 3-amino-4-methoxy-N-phenyl- (120-35-4)

화학적 성질

Gray powder.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 70% (7 of 10) of all reports.

Warning

H315 (30%): Causes skin irritation [Warning Skin corrosion/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 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Benzamide, 3-amino-4-methoxy-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 3-amino-4-methoxy-N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11279

Hazard Classes and CategoriesSkin Irrit. 2 (30%)

안전 데이터

tsca: TSCA listed
rtecs: CV7400000
독성: mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01183,
HS 번호: 2924297099
risk_code: 36/37/38
safety_code: 26-36/37/39
위험 등급: IRRITANT
기존화학 물질: KE-01438

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2건

Paint and Coating Manufacturing

Benzamide, 3-amino-4-methoxy-N-phenyl-: ACTIVE

응용 분야

용도Dyes, pharmaceuticals, and other organic chemicals.

상·하류 제품 정보

상류 원료

하류 제품

C.I. 색소 적색 146 Pigment Red 32 C.I. 색소 적색 31 Pigment Red 176

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]

成都彼样生物科技有限公司18108052721 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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