4-니트로-오-자일렌

4-Nitro-o-xylene

HCID 7440CAS 99-51-4

기본 정보

표준 SMILES
Cc1ccc([N+](=O)[O-])cc1C
InChIKey
HFZKOYWDLDYELC-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

이름 및 식별자

우선 이름
4-Nitro-o-xylene
IUPAC
1,2-dimethyl-4-nitrobenzene
현지명
4-니트로-오-자일렌
영어명
4-Nitro-o-xylene
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

4-Nitro-o-xylene1,2-DIMETHYL-4-NITROBENZENE99-51-4p-Nitro-o-xyleneo-Xylene, 4-nitro-3,4-Dimethyl-1-nitrobenzene4-Nitro-1,2-dimethylbenzene3,4-DimethylnitrobenzeneDTXSID2025133NSC-66555FI6475010KDTXCID805133
이름 더 보기
4-니트로-오-자일렌4-Nitroxylene4-nitro-o-xylen4-Nitro-o-xylol4-Nitro-2-xylene4-Nitro-0-Xylene4-Nitroxylene,99%
RefChem:71974202-761-61,2-dimethyl-4-nitrobenzolBenzene, 1,2-dimethyl-4-nitro-para-Nitro-ortho-xyleneMFCD00007268CAS-99-51-4CCRIS 3118

데이터베이스 식별자

CAS
99-51-4
PubChem CID
7440
DTXSID
DTXSID2025133
ChEMBL
CHEMBL1413373
UNII
FI6475010K
EC Number
202-761-6
Nikkaji
J95.095E

물성

구조 계산 물성

XLogP
2.9
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

Density1.117 (NTP, 1992) - Denser than water; will sink
Color/Form · 3건

YELLOW PRISMS FROM ALCOHOL

CRYSTALLINE NEEDLES

YELLOW LIQ /2,4- & 2,5-ISOMERS/

Solubility · 3건

1 to 5 mg/mL at 59 °F (NTP, 1992)

INSOL IN WATER; SLIGHTLY SOL IN HOT ALCOHOL

SOL IN ETHER /NITROXYLENE/

Flash Point · 2건

225 °F (NTP, 1992)

107 °C

Boiling Point · 2건

489 °F at 748 mmHg (NTP, 1992)

254 °C @ 760 MM HG

Melting Point · 2건

86 to 88 °F (NTP, 1992)

30-31 °C

물리화학적 성질

녹는점
29 °C · 29 °C
끓는 점
255 °C · 255 °C
밀도
1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
증기압
21.73 Pa · 21.73Pa at 25℃
굴절률
1.555 · 1.555-1.557
인화점
230 °F · >230 °F

화학적 성질

yellow crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 69.8% (104 of 149) of all reports.

Warning

H302 (29.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (28.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (28.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 104 of 149 reports by companies.;There are 4 notifications provided by 45 of 149 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Benzene, 1,2-dimethyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dimethyl-4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 19-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11082

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound is an irritant of the skin, eyes and mucous membranes. (NTP, 1992)
Hazards Summary · 1건

Very toxic by inhalation, ingestion, and skin absorption; Emergency treatment: Nitrobenzene; Nitrobenzene causes skin irritation; It is toxic by all routes causing methemoglobinemia and liver injury; Estimated lethal dose in adults is 1-5 grams; [HSDB] A skin, eye, and mucous membrane irritant; [CAMEO] An irritant; [MSDSonline]

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;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)

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Isolation and Evacuation · 1건

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;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)

Personal Protective Equipment (PPE) · 1건

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)

독성 정보

Adverse Effects · 1건

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Human Toxicity ExcerptsHAZARD: HIGHLY TOXIC BY INGESTION, INHALATION & SKIN ABSORPTION. /NITROXYLENE/

규제 정보

Regulatory Information · 2건

Benzene, 1,2-dimethyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dimethyl-4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 19-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11082

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 3447 6.1/PG 2
HS 번호
29042000
risk_code
20/21/22-36/37/38-23/24/25
hazard_code
Xn,T

화학 및 산업

용도 및 제조

Uses · 2건

Used in organic synthesis and as gelatinizing accelerators for pyroxylin; [HSDB]

ORGANIC SYNTH; GELATINIZING ACCELERATORS FOR PYROXYLIN /NITRO-O-XYLENE/

U.S. Production2023: 10,000,000 - <50,000,000 lb;2022: 5,000,000 - <10,000,000 lb;2021: 10,000,000 - <50,000,000 lb;2020: 10,000,000 - <50,000,000 lb
Industry UsesIntermediate
Methods of ManufacturingBY NITRATING XYLENE & SEAARATING FROM RESULTING MIXT BY RECTIFICATION. /NITROXYLENE/
General Manufacturing Information · 3건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzene, 1,2-dimethyl-4-nitro-: ACTIVE

THERE ARE 3 ISOMERS (2,4-; 3,4-; & 2,5-). /NITROXYLENE/

응용 분야

일반 설명Yellow prisms or yellow crystalline solid.

공급사18 곳

中塑供应链管理(山东)有限公司15726167122
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850368 18140587623 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

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