ChemicalBook CAS DataBase List 88-73-3

88-73-3

Name	2-Nitrochlorobenzene
CAS	88-73-3
EINECS(EC#)	201-854-9
Molecular Formula	C6H4ClNO2
MDL Number	MFCD00007061
Molecular Weight	157.55
MOL File	88-73-3.mol

Synonyms

1-CHLORO-2-NITROBENZENE 1-NITRO-2-CHLORINE BENZENE 2-Chloro-1-nitrobenzene 2-CHLORONITROBENZENE 2-cnb 2-NITROCHLOROBENZENE O-CHLORONITROBENZENE O-NITROCHLOROBENZENE ORTHO NITROCHLOROBENZENE 1-chloro-2-nitro-benzen 1-Nitro-2-chlorobenzene benzene,1-chloro-2-nitro- chloro-1nitro-2benzene Chloro-o-nitrobenzene Nitrochlorobenzene, o- Nitrochlorobenzene, ortho ONCB o-nitrochlorobenzene,[liquid] Ortho Nitrochlorobenzene [ONCB] 2-Chluoronitrobenzene

Chemical Properties

Appearance	yellow solid with a characteristic odour
Melting point	31-33 °C (lit.)
Boiling point	246 °C (lit.)
density	1.348 g/mL at 25 °C(lit.)
vapor density	5.4 (vs air)
vapor pressure	0.04 mm Hg ( 25 °C)
refractive index	1.5520 (estimate)
Fp	>230 °F
storage temp.	Store below +30°C.
solubility	alcohol: soluble
form	Fused Crystalline Mass
color	Yellow
PH	6 (0.4g/l, H2O, 20℃)
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, strong bases, alkali metals.
explosive limit	1.15-13.1%(V)
Water Solubility	0.43 g/L (20 ºC)
Merck	14,2151
BRN	509273
Henry's Law Constant	1.1×10⁰ mol/(m³Pa) at 25℃, Altschuh et al. (1999)
InChI	1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey	BFCFYVKQTRLZHA-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccccc1Cl
Uses	Intermediate, especially for dyes. less more
CAS DataBase Reference	88-73-3(CAS DataBase Reference)
IARC	2B (Vol. 65, 123) 2020
NIST Chemistry Reference	Benzene, 1-chloro-2-nitro-(88-73-3)
EPA Substance Registry System	o-Chloronitrobenzene (88-73-3)

Safety Data

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H301+H311
Precautionary statements	P264-P270-P280-P301+P310-P302+P352+P312-P361+P364
Hazard Codes	T
Risk Statements	R22:Harmful if swallowed. R24:Toxic in contact with skin. R52:Harmful to aquatic organisms. R53:May cause long-term adverse effects in the aquatic environment. R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . 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) . S60:This material and/or its container must be disposed of as hazardous waste . S38:In case of insufficient ventilation, wear suitable respiratory equipment . less more
RIDADR	UN 1578 6.1/PG 2
WGK Germany	2
RTECS	CZ0875000
Autoignition Temperature	500 °F
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. 3 Dermal Acute Tox. 3 Oral
Safety Profile	Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion, skin contact, and probably inhalation. Combustible when exposed to heat or flame. To fight fire, use water, foam. Potentially explosive reaction with ammonia at 160℃/30 bar. When heated to decomposition it emits toxic fumes of Cl-, NOx, and phosgene. See also other chloronitrobenzene entries and NITRO COMPOUNDS of AROMATIC HYDROCARBONS. less more
Hazardous Substances Data	88-73-3(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Yellow crystals with an aromatic odor. Sinks in water.

Reactivity Profile

O-NITROCHLOROBENZENE is incompatible with strong bases and strong oxidizing agents. O-NITROCHLOROBENZENE, [LIQUID] will react with ammonia.

Air & Water Reactions

This chemical may be sensitive to prolonged exposure to air and light. Insoluble in water.

Hazard

Toxic by inhalation and ingestion. Combustible. Questionable carcinogen.

Health Hazard

INHALATION: Headache, languour, anemia. Irritation of nose and throat, cyanosis, shallow respiration, convulsions, and coma. EYES: Irritation. SKIN: Irritation. INGESTION: Forms methemoglobin giving rise to cyanosis and blood changes.

Chemical Properties

yellow solid with a characteristic odour

Definition

ChEBI: 1-chloro-2-nitrobenzene is a C-nitro compound that is nitrobenzene in which one of the ortho- hydrogens has been replaced by chlorine. It is a C-nitro compound and a member of monochlorobenzenes.

Production Methods

Nitration of chlorobenzene with mixed acid (30/56/14) typically gives an isomer mix in 98 % yield consisting of 34 – 36 % 2-Nitrochlorobenzene, 63 – 65 % 4- chloronitrobenzene, and only ca. 1 % 3- chloronitrobenzene. The ortho – para ratio of about 0.55 is in sharp contrast to the 1.6 obtained with nitrotoluene isomers. As with the nitration of toluene, much work has been done on isomer control so that the producer might have some flexibility towards the balance of isomer demand. Although no major change in ratio has been achieved, the situation is better for nitrochlorobenzene than nitrotoluenes, because the favored isomer is in much greater demand. In further contrast to the nitration of toluene, the nitration of chlorobenzene in the presence of phosphoric acid decreases the proportion of 4-Nitrochlorobenzene, and the use of phosphoric acid in the presence of a transition-metal catalyst is said to increase the ortho – para ratio to ca. 0.8.

Flammability and Explosibility

Notclassified

Purification Methods

Crystallise it from EtOH, MeOH or pentane (charcoal). [Beilstein 5 IV 721.]

Toxics Screening Level

The Initial Risk Screening Level (IRSL) for 1-chloro-2-nitrobenzene (CAS# 88-73-3) is 0.21 μg/m3 based on an annual averaging time.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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