N-acetyl-o-toluidine

HCID 8443CAS 120-66-1

기본 정보

표준 SMILES
CC(=O)Nc1ccccc1C
InChIKey
BPEXTIMJLDWDTL-UHFFFAOYSA-N
분자식
C9H11NO
평균 분자량
149.19 g/mol
단동위원소 질량
149.08406397

개요

O-acetotoluidide appears as colorless crystals. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
N-acetyl-o-toluidine
IUPAC
N-(2-methylphenyl)acetamide
영어명
2-Methylacetanilide
분자식
C9H11NO
분자량
149.19

이름 및 동의어

120-66-1o-AcetotoluidideN-(2-Methylphenyl)acetamide2'-Methylacetanilideo-AcetotoluideN-ACETYL-O-TOLUIDINEo-MethylacetanilideAcetyl-o-toluidineN-o-TolylacetamideAcetamide, N-(2-methylphenyl)-N-Acetyl-2-toluidineN-Acetyl-o-toludine
이름 더 보기
2-MethylacetanilineAcet-o-toluidideO-TOLYLACETAMIDEO-ACETOTOLUIDINE2-ACETOTOLUIDINE2-ACETAMIDOTOLUENE
2`-MethylacetanilideN-Acetoxy-2-toluidineNSC 3365CCRIS 1237DTXSID1024413HSDB 4256EINECS 204-414-4AI3-03946

데이터베이스 식별자

CAS
120-66-1
PubChem CID
8443
DTXSID
DTXSID1024413
ChEMBL
CHEMBL1568309
ChEBI
CHEBI:189137
UNII
425I3L2A81
EC Number
204-414-4
Nikkaji
J5.330I

물성

구조 계산 물성

XLogP
0.9
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Other Aromatics (Nitrogen)

Dye

SpringerMaterials PropertiesBoiling point
Density · 2건

1.168 (NTP, 1992) - Denser than water; will sink

1.168 @ 15 °C

Color/Form · 2건

CRYSTALS

COLORLESS

Solubility · 4건

Insoluble (NTP, 1992)

SLIGHTLY SOL IN WATER; SOL IN ALC, CHLOROFORM, ETHER

SOL IN BENZENE, GLACIAL ACETIC ACID

INSOL IN HOT WATER

Boiling Point · 2건

565 °F at 760 mmHg (NTP, 1992)

296 °C

물리화학적 성질

녹는점
109 · 109-112 °C
끓는 점
296 °C · 296 °C
밀도
1.16 · 1.16
굴절률
1.5279 · 1.5279 (estimate)
인화점
296 °C · 296°C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 543 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Acetamide, N-(2-methylphenyl)-
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. (NTP, 1992)
Hazards SummaryEnlarged livers with severe hydropic swelling and fatty changes observed in rats at high doses (44-fold excess molar dose); [HSDB] A skin and strong eye irritant; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity Profile · 1건

O-ACETOTOLUIDIDE is an amide. Amides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsWater insoluble.

안전 및 보호

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: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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.

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.

독성 정보

InteractionsO-ACETOTOLUIDIDE WAS, AMONG ISOMERS, THAT PREVENTED DEATH OF RATS DUE TO TOXICITY OF 300 PPM OF N-2-FLUORENYLACETAMIDE.
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Non-Human Toxicity ExcerptsA 44-FOLD MOLAR EXCESS DOSE OF O-ACETOTOLUIDIDE PRODUCED IN RATS ENLARGED LIVERS WITH MARKED HYDROPIC SWELLING & FATTY CHANGES.

안전 데이터

tsca
TSCA listed
rtecs
AN2900000
독성
mma-sat 1 mg/plate NTPTB* JAN 82
HS 번호
29242990
risk_code
36/37/38-22
hazard_code
Xn

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

YIELDS N-ACETYLANTHRANILIC ACID IN RABBIT; BRAY, HG, & THORPE, WV, BIOCHEM J, 43, 211 (1948). /FROM TABLE/

FOLLOWING SINGLE DOSE (400 MG/KG SUBCUTANEOUS) OF O-(METHYL-(14)C)TOLUIDINE TO MALE F344 RAS, N-ACETYL-O-TOLUIDINE WAS PRODUCED AS A METABOLITE.

Absorption, Distribution and ExcretionAFTER 48 HR FOLLOWING SC INJECTION OF 400 MG/KG OF O-(METHYL-(14)C)TOLUIDINE TO MALE RATS, 83.9% APPEARED IN URINE, 3.3% IN FECES & 1.4% WAS EXHALED.

용도 및 제조

Uses · 2건

Used to make dyes; [HSDB]

CHEM INT FOR DYES, EG, C.I. SULFUR YELLOW 12

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of ManufacturingREACTION OF GLACIAL ACETIC ACID WITH O-TOLUIDINE
Formulations/PreparationsGRADE: TECHNICAL.

응용 분야

용도o-Methylacetanilide is a substituted acetanilide that is used as precursor for various pharmaceuticals including their intermediates.

일반 설명Colorless crystals. Insoluble in water.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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