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Key Documents

Safety Information

C0188

Sigma-Aldrich

IR-1061

Synonym(s):

4-[2-[2-Chloro-3-[(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C44H34ClS2 · BF4
CAS Number:
Molecular Weight:
749.13
MDL number:
UNSPSC Code:
12352103

composition

Dye content, ~80%

mp

222 °C (dec.) (lit.)

storage temp.

2-8°C

SMILES string

F[B-](F)(F)F.ClC1=C(CCC\C1=C\C=C2/C=C(SC(=C2)c3ccccc3)c4ccccc4)\C=C\c5cc([s+]c(c5)-c6ccccc6)-c7ccccc7

InChI

1S/C44H34ClS2.BF4/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37;2-1(3,4)5/h1-12,14-21,24-31H,13,22-23H2;/q+1;-1

InChI key

QRLZQHNDSCIJTI-UHFFFAOYSA-N

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

C0188-250MG:4548173189956
C0188-BULK:
C0188-VAR:
C0188-50MG:4548173189963


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