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Trichloroacetamide

Trichloroacetamide structure

CAS No:
594-65-0
Formula:
C2H2Cl3NO
Chemical Name:
Trichloroacetamide
Synonyms:
Acetamide,2,2,2-trichloro-;2,2,2-Trichloroacetamide;Trichloroacetamide;α,α,α-Trichloroacetamide;NSC 16599;Trichloroacetamidate
Categories:
Chemical Reagents > Organic Reagents

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Description

off-white crystalline powder

Trichloroacetamide Basic Attributes

Molecular Weight：

162.402

Exact Mass：

162.40

EC Number：

209-849-3

UNII：

I8BL3305RO

NSC Number：

16599

DSSTox ID：

DTXSID5021671

HScode：

2924199090

Characteristics

PSA：

43.09000

XLogP3：

1.15

Appearance：

white solid

Density：

1.7±0.1 g/cm3

Melting Point：

142 °C

Boiling Point：

240 °C

Flash Point：

88.5±25.9 °C

Refractive Index：

1.521

Water Solubility：

13 g/L (20 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Toxicity：

LDLo orl-rat: 500 mg/kg JPETAB 90,260,47

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

S36/37-S45-S37/39-S26

RTECS Number：

AC9275000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H302 (22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

9.77 L/kg

Drug Information

MeSH Entry Terms：

trichloroacetamide

Trichloroacetamide Use and Manufacturing

Manufacturing Info：

Acetamide, 2,2,2-trichloro-: ACTIVE

Computed Properties

Molecular Weight:162.40
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:160.920197
Monoisotopic Mass:160.920197
Topological Polar Surface Area:43.1
Heavy Atom Count:7
Complexity:85.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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