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Home CSC000005969

Structure Info


IUPAC name
1-isocyanato-3-(trifluoromethyl)benzene
CAS
329-01-1
Chemspace id
CSC000005969
Mol formula
C8H4F3NO
Mol weight
187.121

Properties

Boiling point, ℃ (at pressure)
54.0
LogP
2.761
LogS
-2.9254
Relative density (g/ml)
1.3500
Flash point, ℃
58.0
Heavy atoms count
13
Rotatable bond count
2.00
Hydrogen bond donors count
0.00
Hydrogen bond acceptors count
2.00
Number of rings
1
Carbon bond saturation, Fsp3
0.1250
Polar surface area (Å)
29.4300

Handling

Storage conditions
Cold
GHS classification
H-codeHazard categoryHazard classH-statement
H226Category 3Flammable liquidsFlammable liquid and vapour
H302Category 4Acute toxicity, oralHarmful if swallowed
H315Category 2Skin corrosion/irritationCauses skin irritation
H317Category 1Sensitisation, SkinMay cause an allergic skin reaction
H330Category 2Acute toxicity, inhalationFatal if inhaled
H334Category 1Sensitisation, respiratoryMay cause allergy or asthma symptoms or breathing difficulties if inhaled
H335Category 3Specific target organ toxicity, single exposure; Respiratory tract irritationMay cause respiratory irritation
Signal word
Danger
Pictograms
GHS02GHS07GHS06GHS08
Precautionary measures
P-codeP-statement
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378In case of fire: Use dry sand, dry chemical or alcohol resistant foam for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container in accordance with local/regional/national/international regulations.
P264Wash hands thoroughly after handling. Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330Rinse mouth.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P272Contaminated work clothing should not be allowed out of the workplace.
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P284Wear respiratory protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P310Immediately call a POISON CENTER or doctor/physician.
P320Specific treatment is urgent (see on this label).
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P285In case of inadequate ventilation wear respiratory protection.
P304+P341IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342+P311IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P312Call a POISON CENTER or doctor/physician if you feel unwell.

Transportation

Tariff number (EU)
2929100090
IATA UN number
3384
IATA haz. class
6.1 (3)
IATA proper shipping name
Toxic by inhalation liquid, flammable, 1-isocyanato-3-(trifluoromethyl)benzene
Not allowed for air transportation
  • 104566
  • 66218
  • ACDS-034185
  • ACM329011
  • AGN-PC-0JK92N
  • ArZ-AD007054
  • ArZ-EA020040
  • B19088
  • BBV-38779968
  • C-07616
  • CC-29639
  • DT1541
  • EN300-20249
  • FCH3273246
  • FT-0613949
  • PC7730
  • SC-69966
  • ZX-AN007054
  • ZX-AP012502

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EN300-20249_0.25gEnamine Ltd Chemspace partner1 week250mg16
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EN300-20249_0.5gEnamine Ltd Chemspace partner1 week500mg17
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