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Home> Encyclopedia > Hot Product Listed 3   > 3,4-Dimethoxy phenyl acetonitrile
93-17-4 structure

3,4-Dimethoxy phenyl acetonitrile

CAS No.:93-17-4
EINECS(EC#): 202-225-1
Molecular Weight:177.19984
Molecular Formula:C10H11NO2 (isomer)
Properties
Appearance
White crystal
Density
1.082
Melting Point
62-65℃
Boiling Point
171-178℃ (10 mmHg)
Refractive Index
1.511
Flash Point
250℃
Solubility
insoluble in water,methanol: 0.1 g/mL, clear
Color/Form
yellow
Stability
Stable under normal temperatures and pressures.
HS Code
2926909090
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
T; Xn
Risk Statements
R22;R23/24/25
Safety Statements
S22;S36/37;S45
HazardClass
6.1
Safety

Hazard Codes?of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4):?HarmfulXn,ToxicT
Risk Statements: 23/24/25-36/37/38-20/21/22?
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-45-22-26?
S36/37: Wear suitable protective clothing and gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S22: Do not breathe dust.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
WGK Germany: 3
RTECS: AL9325000
Hazard Note: Irritant
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and CN?. See also NITRILES.

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg) ? U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00302,
mouse LD50 oral 1029mg/kg (1029mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.
rat LD50 unreported 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.

PackingGroup
I; II; III
Transport
3276
Report

Cyanide and its compounds are on the Community Right-To-Know List.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:177.19984g/mol
  • Molecular Formula:C10H11NO2
  • XLogP3-AA:1.2
  • Exact Mass:177.078979
  • Monoisotopic Mass:177.078979
  • Complexity:196
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
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