2-Methylindoline (HCID 23305)

이름 및 식별자

우선 이름: 2-Methylindoline
IUPAC: 2-methyl-2,3-dihydro-1H-indole
현지명: 2-메틸인돌린
영어명: 2-Methylindoline
분자식: C9H11N
분자량: 133.19

이름 및 동의어

2-Methylindoline6872-06-62-methyl-2,3-dihydro-1H-indole2,3-Dihydro-2-methylindole1H-Indole, 2,3-dihydro-2-methyl-2-Methyl-2,3-dihydroindoleIndoline, 2-methyl-Dihydroindole, 2-methyl-alpha-Methyldihydroindole2,3-DIHYDRO-2-METHYL-1H-INDOLE5GAL2SM4VVPE-11

이름 더 보기

2-메틸인돌린2-methyl-indolin2-Methylindoline>2-Methyl-1H-indolineα-Methyldihydroindolea-Methyldihydroindole

NSC 65598EINECS 229-971-0NSC-65598BRN 0081505DTXSID708843395-20-06-00344 (Beilstein Handbook Reference)RefChem:476094DTXCID90835247

데이터베이스 식별자

CAS: 6872-06-6
PubChem CID: 23305
DTXSID: DTXSID70884339
ChEBI: CHEBI:166548
UNII: 5GAL2SM4VV
EC Number: 229-971-0
Nikkaji: J8.853F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: -51 °C · -51 °C
끓는 점: 228 · 228-229 °C (lit.)
밀도: 1.023 g/mL · 1.023 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.569(lit.)
인화점: 200 °F · 200 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 5.26 · 5.26±0.40(Predicted)
Specific Gravity: 1.02 · 1.02
색상: 투명한 노란색에서 갈색까지
수용성: 무시할 만한
InChI: 1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3
InChIKey: QRWRJDVVXAXGBT-UHFFFAOYSA-N
SMILES: CC1Cc2ccccc2N1
NIST: 2 · 2-Methylindoline(6872-06-6)
EPA: 1 H-Indole, · 1H-Indole, 2,3-dihydro-2-methyl- (6872-06-6)

화학적 성질

CLEAR YELLOW TO BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 21.1% (16 of 76) of reports.

Warning

H302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (57.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (59.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (56.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (11.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 16 of 76 reports by companies.；There are 12 notifications provided by 60 of 76 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

Chemical: 1H-Indole, 2,3-dihydro-2-methyl-

Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863

Hazard Classes and CategoriesAcute Tox. 4 (22.4%)；Skin Irrit. 2 (57.9%)；Eye Irrit. 2 (59.2%)；STOT SE 3 (56.6%)；Aquatic Chronic 2 (11.8%)

규제 정보

Regulatory Information · 2건

Chemical: 1H-Indole, 2,3-dihydro-2-methyl-

Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NM1926350
HS 번호: 29349990
risk_code: 36/37/38-52/53-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-60-57
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole, 2,3-dihydro-2-methyl-: INACTIVE

응용 분야

용도2-Methylindoline is an intermediate in the production of various indole derivatives

제조 방법

2-Methylindoline is prepared through the transformation of 1-(2-aminophenyl)propan-2-ol using acidic catalysts[1]. 2-Methylindoline is also produced by the hydrogenation of 2-methylindole in toluene[2].