기본 정보
- CAS
97-35-8- 표준 SMILES
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1- InChIKey
WBGVVXSCGNGJFL-UHFFFAOYSA-N- 분자식
- C11H18N2O3S
- 평균 분자량
- 258.34 g/mol
- 단동위원소 질량
- 258.10381361
이름 및 식별자
- 우선 이름
- Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
- IUPAC
- 3-amino-N,N-diethyl-4-methoxybenzenesulfonamide
- 현지명
- 패스트레드ITR
- 영어명
- Fast Red ITR
- 분자식
- C11H18N2O3S
- 분자량
- 258.34
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
97-35-8- PubChem CID
- 66804
- DTXSID
DTXSID1059151- ChEMBL
CHEMBL1409972- UNII
- JX9EQ4DY8G
- EC Number
- 202-575-5
- Nikkaji
- J4.948D
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 81 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 322
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 102 · 102-105°C
- 끓는 점
- 410.6 · 410.6±55.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 1 · chloroform: methanol (1:1): 1%
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.23 · 3.23±0.10(Predicted)
- 색상
- White to Light yellow to Light orange
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
- InChIKey
- WBGVVXSCGNGJFL-UHFFFAOYSA-N
- SMILES
- C1(S(N(CC)CC)(=O)=O)=CC=C(OC)C(N)=C1
- NIST
- 2 · 2-Methoxyaniline-5-sulfonic acid diethylamide(97-35-8)
- EPA
- 3 · Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy- (97-35-8)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.;There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
규제 정보
Regulatory Information
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2935.90.2000
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-01296
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
개요Fast Red ITR is a nonlinear optical material and can be used in alkaline phosphatase histochemistry. In addition, it is used for dyeing and printing cotton and viscose fabrics. It is the only light pink fast dye among ice dyes and can replace soluble reduced pink IR (soluble indigo pink IR) and bright red base. It can also be used for the printing and dyeing of silk and nylon fabrics.
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