1,3,6-Naphthalenetrisulfonicacid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]- supplier

Name
Reactive Orange 12
EINECS 252-652-2
CAS No. 35642-64-9
Density 2.07 g/cm³
Solubility 1000g/L at 25℃
Melting Point
Formula C₂₀H₁₆ClN₉O₁₀S₃
Boiling Point
Molecular Weight 674.04
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[4-(2-Chloro-4-amino-s-triazin-6-ylamino)-2-ureidophenylazo]-3,6,8-naphthalenetrisulfonicacid;1,3,6-Naphthalenetrisulfonicacid,7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-(9CI);
PSA 344.81000
LogP 7.32000

1,3,6-Naphthalenetrisulfonicacid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]- Specification

This chemical is called 1,3,6-Naphthalenetrisulfonicacid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-, and its IUPAC name is 7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid. With the molecular formula of C₂₀H₁₆ClN₉O₁₀S₃, its molecular weight is 674.04. The CAS registry number of this chemical is 35642-64-9.

Other characteristics of the 1,3,6-Naphthalenetrisulfonicacid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]- can be summarised as followings: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 19; (3)#H bond donors: 9; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 344.81 Å²; (6)Index of Refraction: 1.863; (7)Molar Refractivity: 147 cm3; (8)Molar Volume: 325.4 cm³; (9)Polarizability: 58.27×10^-24cm³.

You can still convert the following datas into molecular structure:
1.SMILES: Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4
2.InChI: InChI=1/C20H16ClN9O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28) InChIKey:
GFPPLTJOYVDEIS-UHFFFAOYAX

Product Name

Reactive Orange 12

1,3,6-Naphthalenetrisulfonicacid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]- Specification

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