4,4′-디아미노벤즈아닐리드

4,4'-Diaminobenzanilide

HCID 69917CAS 785-30-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N
분자식: C13H13N3O
평균 분자량: 227.26 g/mol
단동위원소 질량: 227.10586204

개요

not carcinogenic

이름 및 식별자

우선 이름: 4,4'-Diaminobenzanilide
IUPAC: 4-amino-N-(4-aminophenyl)benzamide
현지명: 4,4′-디아미노벤즈아닐리드
영어명: 4,4'-Diaminobenzanilide
분자식: C13H13N3O
분자량: 227.26

이름 및 동의어

4,4'-Diaminobenzanilide785-30-8Benzamide, 4-amino-N-(4-aminophenyl)-4-Aminobenzoyl-4'-aminoanilidep,p'-DiaminobenzanilideBenzanilide, 4,4'-diamino-00X4JM89UHDTXSID4020400DTXCID40400NSC-37092RefChem:96225212-321-5

이름 더 보기

4,4""""-디아미노벤즈아닐리드4,4′-디아미노벤즈아닐리드4,4'-디아미노벤즈아닐리드(4,4'-DIAMINOBENZANILIDE)4,4'-디아미노벤자닐리드DABA4,4'-DabaDiaminoben4,4 DIAMINO BENZANILIDE4,4’-diaminobenzanllide4,42-DiaminobenzanilideDIAMINOBENZANILIDE(4,4'-)

4-Amino-N-(4-aminophenyl)benzamide4,4-DiaminobenzanilideUNII-00X4JM89UHBenzanilide,4'-diamino-MFCD00025361Oprea1_6971674,4'-Diaminobenzanilide, 98%4,4'-Diaminobenzanilide (DABA)

데이터베이스 식별자

CAS: 785-30-8
PubChem CID: 69917
DTXSID: DTXSID4020400
ChEMBL: CHEMBL350416
UNII: 00X4JM89UH
EC Number: 212-321-5
Nikkaji: J7.093I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 81.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 205 · 205-207 °C(lit.)
끓는 점: 384 · 384.0±27.0 °C(Predicted)
밀도: 1.314 · 1.314±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: 물에 거의 녹지 않음
물리적 상태: powder to crystal
산도 계수 (pKa): 13.99 · 13.99±0.70(Predicted)
색상: 흰색에서 갈색으로
BRN: 2215469 · 2215469
InChI: InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N
SMILES: C(NC1=CC=C(N)C=C1)(=O)C1=CC=C(N)C=C1
EPA: 4 · Benzamide, 4-amino-N-(4-aminophenyl)- (785-30-8)

화학적 성질

off-white to grey-beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.8% (8 of 54) of reports.

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23568

Benzamide, 4-amino-N-(4-aminophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-01173
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzamide, 4-amino-N-(4-aminophenyl)-: ACTIVE

응용 분야 · 1건

용도4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.

상·하류 제품 정보

상류 원료

4,4'-디니트로벤즈아닐리드 Benzoyl chloride, 4-amino- (9CI)1,4-벤젠다이아민 p-니트로벤조일클로라이드 N,N-다이메틸폼아마이드 4-니트로안식향산 4-아미노벤조산 팔라듐 수소 4-나이트로아닐린

하류 제품

히드로클로로티아지드 나프로아닐리드 disodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate Direct Black 166 4-[[4-[[[4-[(3-Carboxy-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid disodium salt C.I. Direct Red 63 DIRECT BLACK 170 5-[[4-[[4-[[4-[[8-Acetylamino-1-hydroxy-3,6-bis(sodiosulfo)-2-naphthalenyl]azo]-3-ethoxy-7-sodiosulfo-1-naphthalenyl]azo]phenyl]aminocarbonyl]phenyl]azo]-2-hydroxybenzoic acid sodium salt Direct Brown 227 Direct Brown 223

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

中节能万润股份有限公司0535-6101880 · [email protected]

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

연결된 노트

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