ChemicalBook CAS DataBase List 95-74-9

95-74-9

Name	3-Chloro-4-methylaniline
CAS	95-74-9
EINECS(EC#)	202-446-3
Molecular Formula	C7H8ClN
MDL Number	MFCD00007773
Molecular Weight	141.6
MOL File	95-74-9.mol

Synonyms

1-AMINO-3-CHLORO-4-METHYLBENZENE 2-CHLORO-4-AMINOTOLUENE 2-CHLORO-4-TOLUIDINE 3-amino-2-chlorotoluene 3-CHLORO-4-METHYLANILINE 3-chloro-4-methyl-benzenamine 3-CHLORO-P-TOLUIDINE 3-cpt 4-AMINO-2-CHLOROTOLUENE AKOS BBS-00003549 CPT O-CHLORO-P-TOLUIDINE OCPT TIMTEC-BB SBB004152 1-amino-3-chloro-4-methylenzene[qr] 2-chloro-4-aminotoluene[qr] 3-chloro-4-methylaniline[qr] 3-chloro-4-methyl-benzenamin 3-chloro-4-methylbenzenamine[qr] 3-chloro-p-toluidin

Chemical Properties

Appearance	The chloromethylanilines are colorless or white crystalline solids or liquids, some have a mild fishy odor.
Melting point	25 °C
Boiling point	237-238 °C(lit.)
density	1.17
vapor pressure	4.973-8.666Pa at 25℃
refractive index	n20/D 1.584(lit.)
Fp	212 °F
storage temp.	2-8°C
solubility	Chloroform, Methanol (Slightly)
form	powder to lump to clear liquid
pka	pK1: 4.05(+1) (25°C)
color	White or Colorless to Light orange to Yellow
Specific Gravity	1.167
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, acid chlorides, acids, acid anhydrides, chloroformates, reducing agents.
Water Solubility	1 g/L (20 ºC)
BRN	636511
Henry's Law Constant	4.9×10⁰ mol/(m³Pa) at 25℃, HSDB (2015)
InChI	1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey	RQKFYFNZSHWXAW-UHFFFAOYSA-N
SMILES	Cc1ccc(N)cc1Cl
LogP	2.27
CAS DataBase Reference	95-74-9(CAS DataBase Reference)
NIST Chemistry Reference	Benzenamine, 3-chloro-4-methyl-(95-74-9)
EPA Substance Registry System	95-74-9(EPA Substance)

Safety Data

Symbol(GHS)	GHS06,GHS09
Signal word	Danger
Hazard statements	H301+H311-H315-H317-H319-H410
Precautionary statements	P273-P280-P301+P310+P330-P302+P352+P312-P305+P351+P338
Hazard Codes	T,N,Xn
Risk Statements	R24/25:Toxic in contact with skin and if swallowed . R36/38:Irritating to eyes and skin . R43:May cause sensitization by skin contact. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed. less more
Safety Statements	S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S60:This material and/or its container must be disposed of as hazardous waste . S36/37:Wear suitable protective clothing and gloves . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
RIDADR	UN 2239 6.1/PG 3
WGK Germany	2
RTECS	XU5111000
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1
PackingGroup	III
HS Code	29214300
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1
Safety Profile	Poison by ingestion, intravenous, and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl and NOx. See also other chloro toluidme entries. less more
Hazardous Substances Data	95-74-9(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Brown solid with a mild odor.

Reactivity Profile

3-CHLORO-P-TOLUIDINE(95-74-9) may be sensitive to prolonged exposure to air and light. This chemical may react with oxidizing agents. 3-CHLORO-P-TOLUIDINE(95-74-9) is incompatible with acids, acid chlorides, acid anhydrides and chloroformates. 3-CHLORO-P-TOLUIDINE(95-74-9) is also incompatible with reducing agents.

Air & Water Reactions

May be sensitive to prolonged exposure to air and light. Insoluble in water.

Potential Exposure

Most of the isomers are used in dyestuff manufacture. The 3-chloro-para isomer is used to kill birds. It is marketed as pelleted bait for control of bird populations.

Fire Hazard

This chemical is combustible.

First aid

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.

Shipping

UN2239 Chlorotoluidines, solid, Hazard Class: 6.1; Labels: 6.1-Poisonous materials. UN3429 Chlorotoluidines, liquid, Hazard Class: 6.1; Labels: 6.1- Poisonous materials

Incompatibilities

Incompatible with oxidizers, strong acids; chloroformates, and acid anhydrides, isocyanates, aldehydes forming fire and explosive hazards.

Chemical Properties

brown solid

Chemical Properties

The chloromethylanilines are colorless or white crystalline solids or liquids, some have a mild fishy odor.

Uses

2-Chloro-4-aminotoluene has been used in the preparation of 2-chloro-4-cyanotoluene by Sandmeyer reaction with cuprous cyanide.

Definition

ChEBI: A monochloroaniline that is p-toluidine in which one of the hydrogens that is meta to the amino group is replaced by a chlorine.

Synthesis

121-86-8

95-74-9

General procedure for the synthesis of 3-chloro-p-toluidine from 2-chloro-4-nitrotoluene: General method: Nitro compounds (1 eq.), hexafluoroisopropanol (HFIP, 10 eq.) and iron powder (5 eq.) were added to the reaction tube and mixed. Subsequently, a 2N aqueous hydrochloric acid solution was slowly added to the reaction mixture. The reaction mixture was stirred at room temperature for 30 minutes and then neutralized with saturated aqueous sodium bicarbonate (NaHCO3) solution. Next, it was extracted three times with saturated aqueous sodium bicarbonate solution. The organic layers were combined, washed with brine, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. Finally, the crude product was purified by silica gel column chromatography to obtain the target product 3-chloro-p-toluidine.

References

[1] Journal of the American Chemical Society, 2017, vol. 139, # 47, p. 17089 - 17097
[2] Tetrahedron Letters, 2017, vol. 58, # 37, p. 3646 - 3649
[3] Chemische Berichte, 1884, vol. 17, p. 534
[4] Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 98,109
[5] Chem. Zentralbl., 1910, vol. 81, # I, p. 260

Material Safety Data Sheet(MSDS)

Spectrum Detail

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