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Home> Hot Product Listed C   > CHEMDIV3_004468
1194-02-1 structure

CHEMDIV3_004468

Iupac Name:4-fluorobenzonitrile
CAS No.:1194-02-1
Molecular Weight:121.111763
Molecular Formula:C21H22N2O5 (isomer)
Names and Identifiers
Synonyms

1h-indole-3-ethanamine, alpha,5-dimethyl- AKOS006275862 BRD-A27499380-003-01-4 CCG-22674 EU-0014444 HMS1485L02 IDI1_022378 MCULE-4929700306 SCHEMBL1120488

Inchi
InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChkey
AEKVBBNGWBBYLL-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C#N)F
Properties
Melting Point
33-36℃
Vapour
0.564mmHg at 25°C
Refractive Index
1.4925 (55 C)
HS Code
29269095
Safety and Handling
Risk Statements
R20/21/22;R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
PackingGroup
III
Transport
50kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1194-02-1 EC: CHEMDIV3_004468 ·ECHA C&L Inventory for CAS: CAS: 1194-02-1 EC: CHEMDIV3_004468
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:121.111763g/mol
  • Molecular Formula:C21H22N2O5
  • XLogP3-AA:2.1
  • Exact Mass:121.032777
  • Monoisotopic Mass:121.032777
  • Complexity:127
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.8
  • Heavy Atom Count:9
  • 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:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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