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1-methoxy-4-nitrobenzene

Dangerous Goods

CAS number:100-17-4    molecular formula:C7H7NO3

overview

compound introduction

根据加利福尼亚劳动法,对硝基苯甲醚可致癌。

Specs

Chinese alias1-甲氧基-4-硝基苯;对甲氧基硝基苯
English aliasAB01095048-03 | DTXSID9059208 | SCHEMBL14406394 | UNII-G989Z7WOLH | WLN: WNR DO1 | Benzene, 1-methoxy-4-nitro- | NITROANISOLE, P- | p-Nitroanisol | Anisole, p-nitro- | NCGC00340123-01 | 1-Methoxy-4-nitrobenzene | 1-methoxy-4-nitro-benzene | AI3-00189 | P-
CAS number100-17-4molecular formulaC7H7NO3
molecular weight153.14Exact mass≥98%
PSA55.1logp2

numbering system

CAS100-17-4
UNIIG989Z7WOLH
HMDB IDHMDB0246530
KEGG IDC07555
ChEBI ID1911
WikidataQ27105525
ChEMBL IDCHEMBL57537
UN Number2730
NSC NumberNSC Number: NSC5507
PubChem CID7485
Deprecated CAS721942-42-3
Nikkaji NumberJ4.003G
DSSTox Substance IDDTXSID9059208
Metabolomics Workbench ID52875
European Community (EC) Number202-825-3
PubChem Reference Collection SID500743454
MEP ID_25Q1B3AQ1

physicochemical properties

XLogP32
Density1.254 at 68 °F (NTP, 1992) - Denser than water; will sink
Complexity135
Exact Mass153.042593085
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point531 °F at 760 mmHg (NTP, 1992)
Formal Charge0
Melting Point48.9 °F (NTP, 1992)
Vapor Pressure0.01 [mmHg]
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Heavy Atom Count11
Molecular Weight153.14
Monoisotopic Mass153.042593085
Isotope Atom Count0
Physical DescriptionSolid; Beige crystalline solid; [Sigma-Aldrich MSDS]
Rotatable Bond Count1
Dissociation Constantsiupacpka
Kovats Retention IndexSemi-standard non-polar: 1463
Hydrogen Bond Donor Count0
Covalently-Bonded Unit Count1
Hydrogen Bond Acceptor Count3
Topological Polar Surface Area55.1 Ų
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Atom Stereocenter Count0
Undefined Bond Stereocenter Count0

Safety information

DOT Label:
Poison
First Aid:
INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Fire Hazards:
Combustible material: may burn but does not ignite readily. Containers may explode when heated. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)
Fire Fighting:
FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)
Health Hazards:
Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
Reactive Group:
Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Adverse Effects:
IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Hazards Summary:
Causes fatty liver degeneration in oral lethal-dose studies of mice; [RTECS] A strong oxidizing agent; May cause skin, eye, and mucous membrane irritation; [CAMEO] May cause irritation; May induce methemoglobinemia; [Sigma-Aldrich MSDS] See o-Nitroanisole.
Reactivity Alerts:
Strong Oxidizing Agent
Reactivity Profile:
NITROANISOLE reacts explosively with (sodium hydroxide + zinc). It reacts vigorously with hydrogen + catalyst (at 482 °F and 25500 mmHg). (NTP, 1992)
Nonfire Spill Response:
ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Cover with plastic sheet to prevent spreading. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)
Regulatory Information:
California Safe Cosmetics Program (CSCP) Reportable Ingredient: Report - regardless of intended function of ingredient in the product
Air and Water Reactions:
Insoluble in water.
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)
Other Safety Information:
Chemical Assessment: Evaluation - Benzene, 1-methoxy-4-nitro-
Carcinogen Classification:
IARC Monographs: Volume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals
DOT Hazard Classification:
Placard/Label(s)
Hazard Classes and Categories:
Carcinogenicity - Category 1B
Personal Protective Equipment (PPE):
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Production methods and uses

purpose
Uses:
Sources/Uses: Used as a dye intermediate and for organic synthesis; [ChemIDplus]

Related

upstream information

No upstream information yet

downstream information

No downstream information yet

MSDS

Found 1 shareMSDS
100-17-4|4-硝基苯甲醚|4-nitrophenyl methyl ether|p-nitrophenyl methyl ether|p-nitroanisol|p-methoxynitrobenzene|4-nitroa nisole