트리메틸-1,3,3,-2-메틸렌인돌린

1,3,3-Trimethyl-2-methyleneindoline

HCID 8351CAS 118-12-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C1N(C)c2ccccc2C1(C)C
InChIKey: ZTUKGBOUHWYFGC-UHFFFAOYSA-N
분자식: C12H15N
평균 분자량: 173.25 g/mol
단동위원소 질량: 173.12044948

이름 및 식별자

우선 이름: 1,3,3-Trimethyl-2-methyleneindoline
IUPAC: 1,3,3-trimethyl-2-methylideneindole
현지명: 트리메틸-1,3,3,-2-메틸렌인돌린
영어명: 1,3,3-Trimethyl-2-methyleneindoline
분자식: C12H15N
분자량: 173.25

이름 및 동의어

1,3,3-Trimethyl-2-methyleneindoline118-12-71H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-Fischers BaseCCRIS 6608Indoline, 1,3,3-trimethyl-2-methylene-EINECS 204-235-1BRN 0131162DTXSID80515961,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline5-20-07-00141 (Beilstein Handbook Reference)RefChem:72215

이름 더 보기

트리메틸-1,3,3,-2-메틸렌인돌린2-메틸렌-1,3,4-트라이메틸인돌린NSC 66176Trimethyl basefischer’smethylenebaseFischer'S methylene base1,3,3-trimethyl-2-methylindole1,3,3-Trimethyl-2-methylenindol

DTXCID2030148Indoline, 1,3,3-trimethyl-2-methylene-(6CI,7CI,8CI)204-235-1InChI=1/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4HZTUKGBOUHWYFGC-UHFFFAOYSA-NFischer's baseFischer base2-Methylene-1,3,3-trimethylindoline

데이터베이스 식별자

CAS: 118-12-7
PubChem CID: 8351
DTXSID: DTXSID8051596
UNII: TW7F4XW78N
EC Number: 204-235-1
Nikkaji: J131.403C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: -8 °C · -8 °C
끓는 점: 248 °C · 248 °C (lit.)
밀도: 0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.577(lit.)
인화점: 215 °F · 215 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 용해도는 무시할 수 있음
물리적 상태: 액체
산도 계수 (pKa): 2.19 · 2.19±0.40(Predicted)
Specific Gravity: 0.98 · 0.98
색상: 빨간색
수용성: 무시할 만한
BRN: 131162 · 131162
InChI: 1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
InChIKey: ZTUKGBOUHWYFGC-UHFFFAOYSA-N
SMILES: CN1C(=C)C(C)(C)c2ccccc12
NIST: 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-(118-12-7)
EPA: 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene- (118-12-7)

화학적 성질

clear red liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.

Warning

H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 165 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-

1,3,3-Trimethyl-2-methyleneindoline: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: NM1926500
ridadr: UN 3082 9/PG 3
HS 번호: 29339990
risk_code: 22-38-50/53
hazard_code: Xn,N
safety_code: 28-60-61-57-37
포장분류: III
위험 등급: 9
기존화학 물질: KE-10765
F 고인화성물질: 23
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-: ACTIVE

응용 분야

용도Reactant for:Cycloaddition reactionsPreparation of red photochromic dyesSynthesis of photochromic homopolymers via ring-opening metathesis polymerization

공급사50 곳

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