반응성오렌지12

7-[2-[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid

HCID 94656CAS 35642-64-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKey: GFPPLTJOYVDEIS-UHFFFAOYSA-N
분자식: C20H16ClN9O10S3
평균 분자량: 674 g/mol
단동위원소 질량: 672.98707839

이름 및 식별자

우선 이름: 7-[2-[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid
IUPAC: 7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
현지명: 반응성오렌지12
영어명: Reactive Orange 12
분자식: C20H16ClN9O10S3
분자량: 674.04

이름 및 동의어

35642-64-97-[2-[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid7-(2-(2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-1,3,6-naphthalenetrisulfonic acidRefChem:310068EINECS 252-652-27-[(e)-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl]naphthalene-1,3,6-trisulfonic acid7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acidC.I.Reactive Orange 127-({4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl)naphthalene-1,3,6-trisulfonic acid7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acidSCHEMBL3653222SCHEMBL4167795

이름 더 보기

반응성오렌지12C.I.Reactive Orange 12:C.I.132487-[4-[(4-Amino-6-chloro-1,3,5-triazine-2-yl)amino]-2-(aminocarbonylamino)phenylazo]naphthalene-1,3,6-trisulfonic acid7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-1,3,6-naphthalenetrisulfonic acid7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-

SCHEMBL29637596DTXSID70867869GFPPLTJOYVDEIS-UHFFFAOYSA-NFR41433NS00089269

데이터베이스 식별자

CAS: 35642-64-9
PubChem CID: 94656
DTXSID: DTXSID70867869
EC Number: 252-652-2
Nikkaji: J260.659C

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 345 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 17
회전 가능 결합 수: 8
무거운 원자 수: 43
형식 전하: 0
복잡도: 1,370

물리화학적 성질

밀도: 2.07 · 2.07±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
산도 계수 (pKa): -1.1 · -1.10±0.40(Predicted)
수용성: 1000 g/L · 1000g/L at 25℃
LogP: -0.66 at · -0.66 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.

Warning

H317 (16.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-

REACH registered substance: 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (EC: 252-652-2)

Other Safety InformationIMAP assessments - 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-: Human health tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (16.7%)

화학 및 산업

제조 방법

7-Aminonaphthalene-1,3,5-trisulfonic acid diazo, and N-(3-aminophenyl)acetamide coupling, and 2,4,6-Trichloro-1,3,5-triazine condensation, and then four and salting-out.

공급사2 곳

Alfa Chemistry+1-5166625404 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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