CAS No.42855-00-5,6-NITROVERATRYL CHLOROFORMATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42855-00-5
Name:	6-NITROVERATRYL CHLOROFORMATE
Article Data:	7

Formula:	C₁₀H₁₀ClNO₆
Molecular Weight:	275.645
Synonyms:	4,5-Dimethoxy-2-nitrobenzylchloroformate;6-Nitroveratryl chloroformate;6-Nitroveratryloxycarbonylchloride;NVOCCl;NVOC CHLORIDE;
Density:	1.399 g/cm³
Melting Point:	125 °C (dec.)(lit.)
Boiling Point:	396.4 °C at 760 mmHg
Flash Point:	193.5 °C
Solubility:	Soluble in methanol, acetone. Reacts with water.
Appearance:	UN 3261 8/PG 2
Hazard Symbols:	C
Risk Codes:	34-37
Safety:	26-36/37/39-45
PSA:	90.58000
LogP:	3.01060

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Specification

The Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester, with the CAS registry number 42855-00-5, is also known as 4,5-Dimethoxy-2-nitrobenzyl carbonochloridate. This chemical's molecular formula is C₁₀H₁₀ClNO₆ and molecular weight is 275.64. What's more, its IUPAC name is called (4,5-Dimethoxy-2-nitrophenyl)methyl carbonochloridate. It should be kept in a cool and dry place.

Physical properties about Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 58; (6)ACD/BCF (pH 7.4): 58; (7)ACD/KOC (pH 5.5): 636.6; (8)ACD/KOC (pH 7.4): 636.6; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 90.58 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 62.32 cm³; (15)Molar Volume: 196.9 cm³; (16)Surface Tension: 47 dyne/cm; (17) Density: 1.399 g/cm³; (18)Flash Point: 193.5 °C; (19)Enthalpy of Vaporization: 64.66 kJ/mol; (20)Boiling Point: 396.4 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-06 mmHg at 25 °C.

Uses of Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester: it is used to produce other chemicals. For example, it can react with 3-Triethoxysilanyl-propylamine to get 4,5-Dimethoxy-2-nitro-benzyl [N-(3-triethoxysilyl)-propyl]-carbamate. The reaction occurs with solvents benzene, pyridine at temperature of 40 °C. The reaction time is 7 hours. The yield is 76 %.

Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester can react with 3-Triethoxysilanyl-propylamine to get 4,5-Dimethoxy-2-nitro-benzyl [N-(3-triethoxysilyl)-propyl]-carbamate.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. It is irritating to respiratory system. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)OCc1cc(OC)c(OC)cc1[N+]([O-])=O
(2) InChI: InChI=1S/C10H10ClNO6/c1-16-8-3-6(5-18-10(11)13)7(12(14)15)4-9(8)17-2/h3-4H,5H2,1-2H3
(3) InChIKey: RWWPKIOWBQFXEE-UHFFFAOYSA-N