IR 140
기본 정보
- CAS
53655-17-7- 표준 SMILES
CCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccc(Cl)cc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccc(Cl)cc21.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
UVLDECUUBLLYRG-UHFFFAOYSA-M- 분자식
- C39H34Cl3N3O4S2
- 평균 분자량
- 779.2 g/mol
- 단동위원소 질량
- 777.105632
이름 및 식별자
- 우선 이름
- IR 140
- IUPAC
- N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate
- 영어명
- IR-140
- 분자식
- C39H34Cl3N3O4S2
- 분자량
- 779.19
이름 및 동의어
IR 14053655-17-7EINECS 258-689-0NSC 290436Benzothiazolium, 5-chloro-2-(2-(3-(2-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-2-(diphenylamino)-1-cyclopenten-1-yl)ethenyl)-3-ethyl-, perchlorate (1:1)DTXSID90688755-Chloro-2-(2-(3-((5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)ethylidene)-2-(diphenylamino)cyclopent-1-en-1-yl)vinyl)-3-ethylbenzothiazolium perchlorate5-chloro-2-[2-[3-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)ethylidene]-2-(diphenylamino)cyclopent-1-en-1-yl]vinyl]-3-ethylbenzothiazolium perchlorateBenzothiazolium, 5-chloro-2-(2-(3-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-2-(diphenylamino)-1-cyclopenten-1-yl)ethenyl)-3-ethyl-, perchlorateBenzothiazolium, 5-chloro-2-[2-[3-[2-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-3-ethyl-, perchlorate (1:1)RefChem:791231DTXCID5041489
이름 더 보기
NK 2204IR 140 (DYE)IR-140 PERCHLORATEIR-140 (LASER DYE)IR-140 Dye content 95 %IR-140, laser grade, pureIR-140 ISO 9001：2015 REACHIR-140,95%,pure,laser grade
5,5'Dichloro11diphenylamino3,3'diethyl10, 12ethylenethiatricarbocyanine perchlorate258-689-05Chloro2(2(3((5chloro3ethyl3Hbenzothiazol2ylidene)ethylidene)2(diphenylamino)cyclopent1en1yl)vinyl)3ethylbenzothiazolium perchlorateBenzothiazolium, 5chloro2(2(3((5chloro3ethyl2(3H)benzothiazolylidene)ethylidene)2(diphenylamino)1cyclopenten1yl)ethenyl)3ethyl, perchlorateBenzothiazolium, 5chloro2(2(3((5chloro3ethyl2(3H)benzothiazolylidene)ethylidene)2(diphenylamino)1cyclopenten1yl)ethenyl)3ethyl, perchlorate (9CI)Benzothiazolium, 5chloro2(2(3(2(5chloro3ethyl2(3H)benzothiazolylidene)ethylidene)2(diphenylamino)1cyclopenten1yl)ethenyl)3ethyl, perchlorate (1:1)Kodak IR 140IR-140
데이터베이스 식별자
- CAS
53655-17-7- PubChem CID
- 5702736
- EC Number
- 258-689-0
물성
구조 계산 물성
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,180
실험 및 물리화학적 성질
Chemical ClassesDyes -> Di- and Triaryl Dyes
Physical DescriptionRed-brown powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 248 °C · 248 °C
- 물리적 상태
- 결정 또는 결정성 분말
- 색상
- 녹색에서 진한 갈색까지
- EPA
- 5 · Benzothiazolium, 5-chloro-2-[2-[3-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-3-ethyl-, perchlorate (53655-17-7)
화학적 성질
green to dark brown crystals or crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 32042000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- 자연 발화 온도
- 1075 °F
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazolium, 5-chloro-2-[2-[3-[2-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-3-ethyl-, perchlorate (1:1): ACTIVE
응용 분야
용도Suitable as laser dye
관련 반응
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