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1-(chloromethyl)-4-nitrobenzene

Dangerous Goods

CAS number：100-14-1 molecular formula：C7H6ClNO2

overview

Specs

numbering system

physicochemical properties

Safety information

Production methods and uses

MSDS

overview

compound introduction

物理描述 | 苯, 1-(氯甲基)-4-硝基- 是一种固体。(EPA, 1998)

Specs

Chinese alias	1-(氯甲基)-4-硝基苯
English alias	4-nitrophenylmethyl chloride \| p-Nitro benzylchloride \| Q27159602 \| NCGC00258126-01 \| alpha-Chloro-p-nitrotoluene \| 3BLD9LVT3X \| AKOS000119805 \| NSC 9803 \| Benzene, 1-(chloromethyl)-4-nitro- \| HSDB 6323 \| BENZENE, 1-CHLOROMETHYL-4-NITRO- [HSDB] \| UNII-3BL
CAS number	100-14-1	molecular formula	C7H6ClNO2
molecular weight	171.58	Exact mass	化学纯（CP）
PSA	45.8	logp	2.5

numbering system

CAS	100-14-1
UNII	3BLD9LVT3X
ChEBI ID	87406
Wikidata	Q27159602
ChEMBL ID	CHEMBL176410
UN Number	3261
NSC Number	NSC Number: NSC9803
PubChem CID	7482
Nikkaji Number	J4.978F
DSSTox Substance ID	DTXSID4025745
European Community (EC) Number	202-822-7
PubChem Reference Collection SID	505521670
MEP ID	_25Q1B3APZ

physicochemical properties

XLogP3	2.5
Density	1.5647 (NTP, 1992) - Denser than water; will sink
Complexity	138
Exact Mass	171.0087061
Boiling Point	230 °C @760 [mm Hg]
Formal Charge	0
Melting Point	71 °C
Vapor Pressure	0.05 [mm Hg] @25 °C
Chemical Classes	Nitrogen Compounds -> Nitros, Aromatic
Heavy Atom Count	11
Molecular Weight	171.58
Monoisotopic Mass	171.0087061
Isotope Atom Count	0
Physical Description	Plates or needles from alcohol
Rotatable Bond Count	1
Hydrogen Bond Donor Count	0
Covalently-Bonded Unit Count	1
Hydrogen Bond Acceptor Count	2
Topological Polar Surface Area	45.8 Å²
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

Safety information

DOT Label：

Corrosive

First Aid：

6. Rush to a health care facility. (EPA, 1998)

Fire Hazards：

Incompatible with sodium hydroxide. (EPA, 1998)

Fire Fighting：

This material may burn but does not ignite readily. Small fires: dry chemical, carbon dioxide, water spray or foam. Large fires: Water spray, fog or foam. Move container from fire area if you can do it without risk. (EPA, 1998)

Toxicity Data：

LCLo (rat) = 280 mg/m3/4h

Health Hazards：

Poisonous if swallowed or dust is inhaled. (EPA, 1998)

Reactive Group：

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Adverse Effects：

Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Hazards Summary：

Poisonous by ingestion and inhalation; [CAMEO] Corrosive; Causes burns; A lachrymator; May cause pneumonitis and pulmonary edema after inhalation of high concentrations; [MSDSonline]

Reactivity Profile：

Incompatible with sodium hydroxide. [EPA, 1998]. A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Nonfire Spill Response：

Large spills: dike far ahead of spill for alter disposal. (EPA, 1998)

Regulatory Information：

New Zealand EPA Inventory of Chemical Status: 4-Nitrobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Air and Water Reactions：

May react slowly with water. (NTP, 1992)

Isolation and Evacuation：

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Hazard Classes and Categories：

Hazardous to the aquatic environment (Long-term) - Category 1

Protective Action Criteria (PAC)：

PAC-3: 12 [mg/m3]

Personal Protective Equipment (PPE)：

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)