N-Acetyl-2,6-xylidine (HCID 16616)

이름 및 식별자

우선 이름: N-Acetyl-2,6-xylidine
IUPAC: N-(2,6-dimethylphenyl)acetamide
영어명: 2',6'-DIMETHYLACETANILIDE
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

N-(2,6-Dimethylphenyl)acetamide2198-53-02',6'-Dimethylacetanilide2,6-DimethylacetanilideAcetamide, N-(2,6-dimethylphenyl)-2',6'-ACETOXYLIDIDEN-Acetyl-2,6-xylidineN-Acetyl-2,6-dimethylanilineNSC 54130Acetanilide, 2',6'-dimethyl-68GZI4J9FMN-Acetoxy-2,6-dimethylaniline

이름 더 보기

Lidocaine EP Impurity C2,6-Acetoxylide2’,6’-AcetoxylididLIDOCAINE EP IMP CTIMTEC-BB SBB008144Lidocaine Impurity 7N-Acetyl-2,6-xylidene

EINECS 218-596-8NSC-54130BRN 2208750DTXSID2062244LIDOCAINE IMPURITY C [EP IMPURITY]LIDOCAINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]LIDOCAINE IMPURITY C (EP IMPURITY)LIDOCAINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)

데이터베이스 식별자

CAS: 2198-53-0
PubChem CID: 16616
DTXSID: DTXSID2062244
UNII: 68GZI4J9FM
EC Number: 218-596-8
Nikkaji: J55.070A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 182 · 182-184 °C(lit.)
끓는 점: 290.31 °C · 290.31°C (rough estimate)
밀도: 1.052 · 1.052
굴절률: 1.54 · 1.5400 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.14 · 15.14±0.70(Predicted)
색상: 크리스탈
InChI: 1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey: NRPTXWYBRKRZES-UHFFFAOYSA-N
SMILES: CC(=O)Nc1c(C)cccc1C
EPA: Acetamide, N-(2,6-dimethylphenyl)- (2198-53-0)

화학적 성질

off-white to yellow cryst. needles or cryst.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, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AN7470000
독성: LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71
HS 번호: 29242990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationAcetamide, N-(2,6-dimethylphenyl)-: ACTIVE

응용 분야

용도Lidocaine (L397800) impurity.

일반 설명2,6-Dimethylacetanilide undergoes iodination by electrophylic substitution reaction of chloroacetanilide, in the presence of ferroiodide and copperchloride as catalyst, to form 4-iodine-2,6-dimethylacetanilide.