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Home> Encyclopedia > Hot Product Listed 5   > 5-amino-2-chlorobenzotrifluoride
320-51-4 structure

5-amino-2-chlorobenzotrifluoride

Iupac Name:4-chloro-3-(trifluoromethyl)aniline
CAS No.:320-51-4
EINECS(EC#): 206-277-6
Molecular Weight:195.569
Molecular Formula:C7H5ClF3N (isomer)
Names and Identifiers
Synonyms

000N5814MR 2-chloro-5-aminebenzotrifluoride 2-chloro-5-aminobenzotrifluoride 3-(trifluoromethyl)-4-chloroaniline 3-triflouromethyl-4-chloroanilin 3-trifluoromethyl-4-chloro aniline 3-trifluoromethyl-4-chloroaniline 3-trifluoromethyl-4-chloro-aniline 4-amino-1-chloro-2-(trifluoromethyl)benzene 4-chloro-3 (trifluoromethyl)aniline 4-chloro-3-(trifluoromethyl) aniline 4-chloro-3-(trifluoromethyl)aniline 4-chloro-3-(trifluoromethyl)-aniline 4-chloro-3-(trifluoromethyl)aniline, 99% 4-chloro-3-(trifluoromethyl)benzenamine 4-chloro-3-(trifluoromethyl)-benzenamine 4-chloro-3-(trifluoromethyl)benzene amine 4-chloro-3-(trifluoromethyl)benzeneamine 4-chloro-3-(trifluoromethyl)phenylamine 4-chloro-3-trifluoro methyl aniline 4-chloro-3-trifluoromethyl aniline 4-chloro-3-trifluoromethylaniline 4-chloro-3-trifluoromethyl-aniline 4-chloro-3-trifluoromethylbenzenamine 4-chloro-3-trifluoromethyl-phenylamine 4-chloro-5-trifluoromethylaniline 4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine 5-amino-2-chloro-benzotrifluoride 5-amino-2-chlorotrifluorotoluene 6-chloro-3-aminobenzotrifluoride A5768 AB1004624 AC1L27UN AC1Q4JLR AC1Q51D3 AC-25037 acbt AJ-13363 AK-40360 AKOS000120459 AM20060297 AN-792 aniline, 4-chloro-3-(trifluoromethyl)- ANW-27252 aspdjzinbyyzru-uhfffaoysa- ASPDJZINBYYZRU-UHFFFAOYSA-N BB 0218491 BB_SC-1544 BBL018123 benzenamine, 4-chloro-3-(trifluoromethyl)- BG01511237 BR-40360 ccris 2815 CHEBI:59245 CM11395 CS-W019997 CTK3J4865 DTXSID7059804 einecs 206-277-6 EPITOPE ID:131789 F2108-0227 FR-0609 FT-0081696 FT-0601470 HMS1648N05 I01-0492 I01-7115 JSP005944 KB-22435 KS-000009RL KSC494Q6L labotest-bb lt00077053 labotest-bb lt03333196 labotest-bb lt03380753 LS00147 LS-188122 M-5854 MCULE-7149050901 mfcd00007846 MOLPORT-000-150-981 m-toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro- m-toluidine, 4-chloro-alpha,alpha,alpha-trifluoro- NF10126 nsc 61405 nsc61405 nsc-61405 OR003749 p-chloro-m-(trifluoromethyl)aniline PS-8279 RTR-013522 S249 SBB003592 SC-03423 SCHEMBL203216 sorafenib related compound 4 ST2411295 STK902087 TL8002437 TR-013522 unii-000n5814mr W-106863 Z1245635739 ZB005862 ZINC154725

Inchi
InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChkey
ASPDJZINBYYZRU-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1N)C(F)(F)F)Cl
Properties
Appearance
white to pink Crystalline powder
Density
1.425
Melting Point
34-38℃
Boiling Point
242.8 °C at 760 mmHg
Refractive Index
1.515 (17 C)
Flash Point
>110℃
Solubility
negligible in water
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29214300
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
Risk Statements
R23/24/25;R36/37/38
Safety Statements
S22;S24/25;S45
HazardClass
6.1
PackingGroup
III
Transport
UN2811
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

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:195.569g/mol
  • Molecular Formula:C7H5ClF3N
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.5
  • Exact Mass:195.006
  • Monoisotopic Mass:195.006
  • Complexity:159
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBiAYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQIQAAAADAqBGDAwwIBAAACA AiRCQACCAAAgBwAIiAAAZogIICKBk5GAIABgkAAIyAcQgAAOAABAQAABAAAAAICAAAIAAAAAAAAA AA==
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