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2-메틸-6-니트로벤조이산

6-Methyl-2-nitrobenzoic acid

HCID 178808891
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제관련 반응화합물 노트
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기본 정보

CAS
513506-76-8
표준 SMILES
Cc1cccc([N+](=O)[O-])c1C(=O)O
InChIKey
CCXSGQZMYLXTOI-UHFFFAOYSA-N
분자식
C8H7NO4
평균 분자량
181.15 g/mol

개요

2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)

이름 및 식별자

우선 이름
6-Methyl-2-nitrobenzoic acid
IUPAC
2-methyl-6-nitrobenzoic acid
현지명
2-메틸-6-니트로벤조이산
영어명
2-Methyl-6-nitrobenzoicacid
분자량
0

이름 및 동의어

2-METHYL-6-NITROBENZOIC ACID13506-76-86-Nitro-o-toluic acid6-Methyl-2-nitrobenzoic acidBenzoic acid, 2-methyl-6-nitro-o-Toluic acid, 6-nitro-DTXSID7025639EINECS 236-833-3JM85Y56DX1DTXCID205639METHYL-6-NITROBENZOIC ACID, 2-RefChem:543836
이름 더 보기
2-메틸-6-니트로벤조이산
236-833-32-methyl-6-nitro-benzoic acidMFCD000072672-Nitro-6-methylbenzoic acid2-methyl-nitrobenzoic acidMLS002152875SMR0012244902-methyl-6-nitrobenzoicacid

데이터베이스 식별자

CAS
513506-76-8
ChEMBL
CHEMBL1300395
UNII
JM85Y56DX1
EC Number
236-833-3
Nikkaji
J135.795F

물성

구조 계산 물성

XLogP
0.8
극성 표면적
83.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
13
형식 전하
0
복잡도
223

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point309 to 313 °F (NTP, 1992)
Physical Description2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

2-METHYL-6-NITROBENZOIC ACID is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.

관련 반응

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제관련 반응화합물 노트
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire FightingFires involving this chemical 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.

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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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)