Basic information
- Name:
XTT sodium salt
- CAS No.:
111072-31-2
- Molecular Structure:
- Formula:
- C22H16N7NaO13S2
- Molecular Weight:
- 673.52
- Synonyms:
- 2H-Tetrazolium,2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, innersalt, monosodium salt (9CI);Sodium3'-[1-(phenylaminocarbonyl)-3,4-tetrazolium]bis(4-methoxy-6-nitro)benzenesulfonicacid;Sodium 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide inner salt;Sodium 3,3'-[1-(phenylamino)carbonyl]-3,4-tetrazolium-bis(4-methoxy-6-nitro)benzenesulfonic acid;
- Solubility:
- hot water: 2.5 mg/mL
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Chemistry
Product Name: XTT sodium salt (CAS NO.111072-31-2)
Molecular Formula: C22H16N7NaO13S2
Molecular Weight: 673.52g/mol
Mol File: 111072-31-2.mol
Melting Point: 2-8°C
Water Solubility: hot water: 2.5 mg/mL
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of XTT sodium salt (CAS NO.111072-31-2):
IUPAC Name: sodium4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate
Canonical SMILES: COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C
(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
InChI: InChI=1S/C22H17N7O13S2.Na/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2;/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40);/q;+1/p-1
InChIKey: JACYMBNQPPWQML-UHFFFAOYSA-M
Safety Profile
Safety Information of XTT sodium salt (CAS NO.111072-31-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
XTT sodium salt , its CAS NO. is 111072-31-2, the synonyms are Sodium 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide inner salt ; Sodium 3,3'-[1-(phenylamino)carbonyl]-3,4-tetrazolium-bis(4-methoxy-6-nitro)benzenesulfonic acid .