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3-Amino-p-cresol

HCID 17820
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
2836-00-2
표준 SMILES
Cc1ccc(O)cc1N
InChIKey
NUNAWQZKZVVELQ-UHFFFAOYSA-N
분자식
C7H9NO
평균 분자량
123.15 g/mol
단동위원소 질량
123.06841391

개요

Crystals. (NTP, 1992)

이름 및 식별자

우선 이름
3-Amino-p-cresol
IUPAC
3-amino-4-methylphenol
영어명
3-Amino-4-methylphenol
분자식
C7H9NO
분자량
123.15

이름 및 동의어

3-AMINO-4-METHYLPHENOL2836-00-22-Amino-4-hydroxytoluenePhenol, 3-amino-4-methyl-3-Amino-p-cresolp-Cresol, 3-amino-EINECS 220-622-8DTXSID30748603A4MP5Hydroxyotoluidine3Amino4methylphenol2Amino4hydroxytoluene
이름 더 보기
m-Amino-p-cresol3-azanyl-4-methyl-phenol3-Amino-4-Methylphenol 98%
Phenol, 3amino4methylRefChem:4976865-HYDROXY-O-TOLUIDINEDTXCID0037811220-622-83-Amino-4-methyl-phenolMFCD000750835-hydroxy-2-methylaniline

데이터베이스 식별자

CAS
2836-00-2
PubChem CID
17820
DTXSID
DTXSID3074860
EC Number
220-622-8
Nikkaji
J13.737E

물성

구조 계산 물성보충 중

XLogP
0.5
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9
형식 전하
0
복잡도
94.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Phenols
Boiling PointSublimes (NTP, 1992)
Melting Point313 to 315 °F (NTP, 1992)
Physical Description · 2건

Crystals. (NTP, 1992)

Solid; [CAMEO]

물리화학적 성질

녹는점
156 · 156-157°C
끓는 점
229.26 °C · 229.26°C (rough estimate)
밀도
1.0877 · 1.0877 (rough estimate)
굴절률
1.5706 · 1.5706 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
10.32 · 10.32±0.18(Predicted)
색상
Light yellow to Brown to Dark green
EPA
3 · 3-Amino-4-methylphenol (2836-00-2)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (97%): 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 33 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. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Hazards SummaryMay cause skin, eye, and mucous membrane irritation; [CAMEO] A local irritant; [NTP] An irritant; [Apollo Scientific MSDS] See Cresol, all isomers and o-Toluidine.
Reactive GroupPhenols and Cresols
Reactivity Profile3-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsIt may be sensitive to prolonged exposure to air.
Hazard Classes and CategoriesSkin Irrit. 2 (97%)

안전 및 보호

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for dyestuffs; [NTP]

응용 분야

일반 설명Crystals.

상·하류 제품 정보

상류 원료

3-나이트로-p-크레솔

하류 제품

Benzenesulfonic acid, 5-[(4-amino-2-hydroxy-5-methylphenyl)azo]-2-[4-[(4-amino-2-hydroxy-5-methylphenyl)azo]phenoxy]-, monosodium salt기본빨간색4로다민3GN-(5-히드록시-2-메틸페닐)아세트아미드

관련 반응

57건
반응 기록 만들기
HRID 67162 반응식
HRID 67162생성물로uspto-grants-1982_08
HRID 103117 반응식
HRID 103117생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 140691 반응식
HRID 140691반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 162388 반응식
HRID 162388반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 168037 반응식
HRID 168037반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 183011 반응식
HRID 183011반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 191421 반응식
HRID 191421반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 246827 반응식
HRID 246827반응물로uspto-grants-1987_11
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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.

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 152 [Substances - Toxic (Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek protective clothing is not worn during the handling of this chemical, wear disposable Tyvek sleeves taped to your gloves.

안전 데이터

HS 번호
2922290090
hazard_code
Xi
위험 참고 사항
Irritant