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1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole structure

CAS No:
77451-51-5
Formula:
C9H8N4O4S
Chemical Name:
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
Synonyms:
1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole;3-Nitro-1-tosyl-1H-1,2,4-triazole;1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole, 98+%;1-(2-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole;1-(p-Toluenesulfonyl)-3-nitro-1H-1,2,4-triazole, 98+%;1-(4-TOLUENESULFONYL)-3-NITRO-1,2,4-TRIAZOLE;1-(P-TOLUENESULFONYL)-3-NITRO-1,2,4-TRIAZOLE;TSNT
Categories:
Organic Chemistry > Organic Fluorine Compound

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1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole Basic Attributes

Molecular Weight：

268.25

Exact Mass：

268.02662592 g/mol

DSSTox ID：

DTXSID90350783

HScode：

2933990090

Characteristics

PSA：

119.05000

XLogP3：

2.33570

Melting Point：

133-135 °C(lit.)

Storage Conditions：

Store at RT.

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:268.25
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:268.02662592
Monoisotopic Mass:268.02662592
Topological Polar Surface Area:119
Heavy Atom Count:18
Complexity:407
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

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