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53655-17-7

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Basic Information
CAS No.: 53655-17-7
Name: IR-140
Molecular Structure:
Molecular Structure of 53655-17-7 (IR-140)
Formula: C39H34Cl2N3S2+
Molecular Weight: 779.19
Synonyms: NK 2204;IR 140 (dye);Benzothiazolium,5-chloro-2-[2-[3-[(5-chloro- 3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- 2-(diphenylamino)-1-cyclopenten-1-yl]- ethenyl]-3-ethyl-,perchlorate;N-[2-[2-(5-chloro-3-ethyl-benzothiazol-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-benzothiazol-2-ylidene)ethylidene]-1-cyclopentenyl]-N-phenyl-aniline;IR 140;Kodak IR 140;
EINECS: 258-689-0
Density: g/cm3
Melting Point: 248 °C
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: Xn
Risk Codes: 20/21/22-36/37/38
Safety: 24/25-36-26
PSA: 142.80000
LogP: 11.35350
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Chemistry

Molecular Structure:

Molecular Formula: C39H34Cl3N3O4S2
Molecular Weight: 779.194
IUPAC Name: N-[2-[2-(5-Chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate
Synonyms of 5,5'-Dichloro-11-diphenylamino-3,3'-diethyl-10,12-ethylenethiatricarbocyanine perchlorate (CAS NO.53655-17-7): EINECS 258-689-0 ; IR 140 ; Kodak IR 140 ; NSC 290436 ; 5-Chloro-2-(2-(3-((5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)ethylidene)-2-(diphenylamino)cyclopent-1-en-1-yl)vinyl)-3-ethylbenzothiazolium perchlorate ; Benzothiazolium, 5-chloro-2-(2-(3-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-2-(diphenylamino)-1-cyclopenten-1-yl)ethenyl)-3-ethyl-, perchlorate ; Benzothiazolium, 5-chloro-2-(2-(3-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-2-(diphenylamino)-1-cyclopenten-1-yl)ethenyl)-3-ethyl-, perchlorate (9CI) ; Benzothiazolium, 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)
CAS NO: 53655-17-7
Melting point: 250-252 °C
H bond acceptors: 3
Freely Rotating Bonds: 8
Polar Surface Area of 5,5'-Dichloro-11-diphenylamino-3,3'-diethyl-10,12-ethylenethiatricarbocyanine perchlorate (CAS NO.53655-17-7): 63.9 Å2

Safety Profile

Hazard Codes of 5,5'-Dichloro-11-diphenylamino-3,3'-diethyl-10,12-ethylenethiatricarbocyanine perchlorate (CAS NO.53655-17-7): HarmfulXn
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26 
S24/25: Avoid contact with skin and eyes. 
S36: Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.