반응성오렌지14

4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

HCID 114432CAS 12225-86-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1S(=O)(=O)O
InChIKey: IHRFTCGTRALYFG-UHFFFAOYSA-N
분자식: C19H12Cl2N8O9S2
평균 분자량: 631.4 g/mol
단동위원소 질량: 629.95457132

이름 및 식별자

우선 이름: 4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
IUPAC: 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
현지명: 반응성오렌지14
영어명: REACTIVE ORANGE 14
분자식: C19H12Cl2N8O9S2
분자량: 631.38

이름 및 동의어

C.I. Reactive Orange 144-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidRefChem:509264235-432-0Reactive Orange 1412225-86-44-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acidEINECS 235-432-0SCHEMBL10054925SCHEMBL29463207IHRFTCGTRALYFG-UHFFFAOYSA-N

이름 더 보기

반응성오렌지14REACTIVEORANGENO14Monaryl Yellow M4RActicrom Yellow F4RGoldazol Yellow 4RCMikacion Yellow 4RSDinactive Yellow M4RChemictive Yellow 4RBegative Yellow CD-4RPolkative Yellow PX-4R

DTXSID901101444AKOS024319588NS000858861H-Pyrazole-3-carboxylic acid, 4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-4-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

데이터베이스 식별자

CAS: 12225-86-4
PubChem CID: 114432
DTXSID: DTXSID901101444
EC Number: 235-432-0
Nikkaji: J283.139B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 271 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 16
회전 가능 결합 수: 8
무거운 원자 수: 40
형식 전하: 0
복잡도: 1,240

물리화학적 성질

밀도: 2.01 · 2.01±0.1 g/cm3(Predicted)
산도 계수 (pKa): -3.15 · -3.15±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: C.I. Reactive Orange 14

Other Safety InformationIMAP assessments - C.I. Reactive Orange 14: Human health tier I assessment

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H334

화학 및 산업

응용 분야

용도Reactive Orange 14 is a dye that can be used in the dyeing of fabrics and screening of inulin-degrading microorganisms.

제조 방법

2,5-Diaminobenzenesulfonic acid diazo, and 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid coupling, and then and 2,4,6-Trichloro-1,3,5-triazine condensation .

상·하류 제품 정보

상류 원료

공급사3 곳

陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

重庆卡兰医药有限公司[email protected]

연결된 노트

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