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Tropeolin

Tropeolin structure

CAS No:
3012-37-1
Formula:
C8H7NS
Chemical Name:
Tropeolin
Synonyms:
Thiocyanic acid,phenylmethyl ester;Thiocyanic acid,benzyl ester;Tropeolin;Benzyl thiocyanate;Solvat 14;α-Thiocyanatotoluene;NSC 130266;NSC 1729;(Thiocyanatomethyl)benzene
Categories:
Chemical Reagents > Organic Reagents

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Description

ALMOST WHITE TO YELLOW CRYSTALS OR CRYST. POWDER

Solid

Benzyl thiocyanate is a member of thiocyanates.

Tropeolin Basic Attributes

Molecular Weight：

149.21

Exact Mass：

149.21

BRN：

1859726

EC Number：

221-144-2

UNII：

YX8TAO9O90

NSC Number：

130266|1729

DSSTox ID：

DTXSID5020156

HScode：

29309070

Characteristics

PSA：

49.1

XLogP3：

1.99

Appearance：

Solid

Density：

1.32

Melting Point：

43 °C

Boiling Point：

232 °C

Flash Point：

>230 °F

Refractive Index：

1.561 (20ºC)

Water Solubility：

H2O: insoluble ;diethyl ether: soluble 0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless

Storage Conditions：

2-8°C

Toxicity：

Peritoneal-rat LDL0: 40 mg/kg; peritoneal-mouse LD50: 17 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides, sulfur oxides and cyanide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1759 8/PG 2

wgk germany：

hazard class code：

20/21/22-32

safety instructions：

13-36/37-50A

RTECS Number：

XK8155000

Marks：

Storage features：

Low temperature, ventilating and drying; store it separately from the food materials in the warehouse

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

benzyl thiocyanate

Tropeolin Use and Manufacturing

Uses

Benzyl Thiocyanate is found to increase the protein production of Streptomyces aureofaciens. Inhibits methylazoxymethanol acetate-induced intestinal carcinogenesis and reduces unscheduled DNA synthesis for some genotoxic carcinogens in rats.

Manufacturing Info：

Thiocyanic acid, phenylmethyl ester: ACTIVE

Computed Properties

Molecular Weight:149.21
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:149.02992040
Monoisotopic Mass:149.02992040
Topological Polar Surface Area:49.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes