ChemicalBook CAS DataBase List 121-17-5

121-17-5

Name	4-Chloro-3-nitrobenzotrifluoride
CAS	121-17-5
EINECS(EC#)	204-451-6
Molecular Formula	C7H3ClF3NO2
MDL Number	MFCD00007084
Molecular Weight	225.55
MOL File	121-17-5.mol

Synonyms

1-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)BENZENE 2-Chlore-5-trifluoromethyl nitrobenzene 2-NITRO-4-TRIFLUOROMETHYLCHLOROBENZENE 3-NITRO-4-CHLOROBENZOTRIFLUORIDE 4-CHLORO-3-NITRO-A,A,A-TRIFLUOROTOLUENE 4-CHLORO-3-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE 4-CHLORO-3-NITROBENZOTRIFLUORIDE 4-CHLORO-3-NITROTRIFLUOROBENZENE 4-CHLORO-A,A,A-TRIFLUORO-3-NITROTOLUENE TIMTEC-BB SBB009923 1-chloro-2-nitro-4-(trifluoromethyl)-benzen 2-Chloro-5-(trifluoromethyl)nitrobenzene 3-Nitro-4-(chloro)trifluoromethylbenzene 3-Nitro-4-chloro-alpha,alpha,alpha-trifluorotoluene 3-nitro-4-chlorotrifluoromethylbenzene 4-chloro-1-trifluoromethyl-3-nitro-benzene 4-Chloro-3-nitro-1-(trifluoromethyl)benzene 4-chloro-3-nitro-alpha,alpha,alpha-trifluoro-toluen 4-chloro-3-nitro-benzotrifluorid 4-Chloro-3-nitrobenzylidyne fluoride

Chemical Properties

Appearance	CLEAR YELLOW LIQUID
Melting point	-2 °C
Boiling point	222 °C(lit.)
density	1.511 g/mL at 25 °C(lit.)
vapor pressure	10Pa at 25℃
refractive index	n20/D 1.489(lit.)
Fp	215 °F
storage temp.	Store below +30°C.
solubility	Chloroform, Methanol (Slightly)
form	Liquid
color	Clear yellow
Water Solubility	Insoluble
BRN	523986
Henry's Law Constant	7.2×10^-2 mol/(m³Pa) at 25℃, Zhang et al. (2010)
InChI	1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey	TZGFQIXRVUHDLE-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F
LogP	3.42
CAS DataBase Reference	121-17-5(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-(121-17-5)
EPA Substance Registry System	121-17-5(EPA Substance)

Safety Data

Hazard Codes	Xn,T,Xi
Risk Statements	R22:Harmful 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 . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	UN 2307 6.1/PG 2
WGK Germany	2
RTECS	XS9140000
Hazard Note	Toxic
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1
PackingGroup	II
HS Code	29049085
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1
Safety Profile	Poison by ingestion and intravenous routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of F-, Cl-, and NOx. See also CHLORINATED HYDROCARBONS, AROMATIC; and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS. less more
Hazardous Substances Data	121-17-5(Hazardous Substances Data)

121-17-5

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