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16090-02-1

Basic Information
CAS No.: 16090-02-1
Name: Fluorescent brightener 71
Article Data: 1
Molecular Structure:
Molecular Structure of 16090-02-1 (Fluorescent brightener 71)
Formula: C40H38N12Na2O8S2
Molecular Weight: 924.929
Synonyms: 2,2'-Stilbenedisulfonicacid, 4,4'-bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-, disodium salt(6CI,7CI,8CI);Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI);4,4'-Bis[(6-anilino-4-morpholino-1,3,5-triazin-2-yl)amino]-2,2'-disulfostilbenedisodium salt;Belofor KD 2;Blancophor BBH;Blankophor DML;Brightener BR 15;C.I. 40625;
EINECS: 240-245-2
Density: 0.417-1.54[at 20℃]
Melting Point: >270oC
Solubility: 1.223-1.9g/L at 20-25℃
Appearance: COA
PSA: 281.56000
LogP: 7.26640
Synthetic route
110-91-8

morpholine

6,6'-(ethene-1,2-diyl)bis(3-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid)disodium salt

16090-02-1

2,2'-(1,2-ethenediyl)bis<5-<(4-(4-morpholinyl)-6-phenylamino)>-1,3,5-triazin-2-yl>aminobenzenesulfonic acid disodium salt

Conditions
ConditionsYield
With sodium hydroxide In water at 98℃; for 1h; pH=9.5 - 10.5; Temperature;
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  • Fluorescent Brightener 71  Cas no.16090-02-1 98%

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Chemistry

Molecule structure of Fluorescent brightener 71 (CAS NO.16090-02-1):

IUPAC Name: Disodium 5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate 
Molecular Weight: 924.91486 g/mol
Molecular Formula: C40H38N12Na2O8S2
H-Bond Donor: 4
H-Bond Acceptor: 20
Rotatable Bond Count: 12
Tautomer Count: 81
Exact Mass: 924.217237
MonoIsotopic Mass: 924.217237
Topological Polar Surface Area: 265
Heavy Atom Count: 64
Canonical SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+]
Isomeric SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+]
InChIKey: VUJGKADZTYCLIL-YHPRVSEPSA-L
EINECS: 240-245-2 
Classification Code: Mutation data; Skin / Eye Irritant

Uses

 Fluorescent brightener 71 (CAS NO.16090-02-1) is available for whitening cotton, polyester-cotton blended fabric. It is also used to whiten some cotton blended fabrics.

Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

    TXAPA9    Toxicology and Applied Pharmacology. 27 (1974),494.
2.    

eye-rbt 100 mg/2S RNS MLD

    TXAPA9    Toxicology and Applied Pharmacology. 27 (1974),494.
3.    

orl-rat LD50:>8 g/kg

    CCECAU    Criticial Reviews in Environmental Control. 7 (1977),91.
4.    

orl-mus LD50:>20 g/kg

    SCIEAS    Science. 36 (1-4),(1989),10.
5.    

orl-cat LDLo:>500 mg/kg

    CCECAU    Criticial Reviews in Environmental Control. 7 (1977),91.
6.    

orl-rbt LDLo:>1 g/kg

    CCECAU    Criticial Reviews in Environmental Control. 7 (1977),91.
7.    

skn-rbt LD:>10 g/kg

    TXAPA9    Toxicology and Applied Pharmacology. 27 (1974),494.
8.    

orl-gpg LDLo:>1 g/kg

    CCECAU    Criticial Reviews in Environmental Control. 7 (1977),91.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. An eye irritant. When heated to decomposition it emits toxic vapors of NOx and Cl.

Specification

 Fluorescent brightener 71 (CAS NO.16090-02-1) is also named as 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-morpholino-s-triazin-2-yl)amino)-, disodium salt ; 4,4'-Bis((2-anilino-4-morpholino-1,3,5-triazin-6-yl)amino)-2,2'-stilbenedisulfonic acid, disodium salt ; 4,4'-Bis((4-anilino-6-morpholino-1,3,5-triazine-2-yl)amino)stilbene 2,2-disulfonate 2Na ; 4,4'-Bis((4-anilino-6-morpholino-s-triazin-2-yl)-amino)-2,2'-stilbenedisulfonate ; Belotex KD ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-Y L)amino)-, disodium ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt ; Blankophor BBH ; Blankophor MBBH ; C.I. Fluorescent Brightener 244 ; C.I. Fluorescent Brightener 250 ; C.I. Fluorescent Brightener 260 ; C.I. Fluorescent Brightener 71 ; CCRIS 3187 ; CI Fluorescent Brightener 260 ; Calcofluor White RC ; Disodium 4,4'-bis((4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonate ; FBA-260 ; HSDB 5061 ; Heliofor 3BC ; Heliofor BDC ; Hiltamine Arctic White DML ; Leukopur PAM ; MBBH 766 ; Mikephor TB ; Phorwite MBBH 766 ; Stralex MD ; Tinopal AMS ; Tinopal DMS-X ; Tinopal EMS .