3-Iodo-p-toluidine

HCID 118889CAS 35944-64-0

기본 정보

표준 SMILES: Cc1ccc(N)cc1I
InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N
분자식: C7H8IN
평균 분자량: 233.05 g/mol
단동위원소 질량: 232.97014726

이름 및 식별자

우선 이름: 3-Iodo-p-toluidine
IUPAC: 3-iodo-4-methylaniline
영어명: 3-Iodo-4-methylaniline
분자식: C7H8IN
분자량: 233.05

이름 및 동의어

3-Iodo-p-toluidine3-iodo-4-methylbenzenamineRefChem:502750252-803-23-Iodo-4-methylaniline35944-64-0Benzenamine, 3-iodo-4-methyl-MFCD000478434-AMINO-2-IODOTOLUENEp-Toluidine, 3-iodo-BRN 23535673-iodo-4-methyl-aniline

이름 더 보기

3-iodo-p-toluidin3-IODO-PARA-TOLUIDINE2-Iodine-4-aminotoluene3-Iodo-4-methylaniline>3-Iodo-4-methylaniline 97%

EINECS 252-803-2Benzenamine, 3-iodo-4-methyl- (9CI)2-12-00-00533 (Beilstein Handbook Reference)EN300-174183-iodo-4-methyl-phenylamine3-iodo-4-methylphenylamine3-iodo-4-methyl aniline3-Iodo-4-methylphenyl amine

데이터베이스 식별자

CAS: 35944-64-0
PubChem CID: 118889
DTXSID: DTXSID20189503
EC Number: 252-803-2
Nikkaji: J48.082G

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

녹는점: 37 · 37-41 °C (lit.)
끓는 점: 289.4 · 289.4±28.0 °C(Predicted)
밀도: 1.791 · 1.791±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: powder to lump
산도 계수 (pKa): 4.07 · 4.07±0.10(Predicted)
색상: White to Amber to Dark green
수용성: 물에 불용성.
BRN: 2353567 · 2353567
InChI: 1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N
SMILES: Cc1ccc(N)cc1I

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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. 3 (89.1%)

안전 데이터

wgk: 3
rtecs: XU7700000
ridadr: UN 2811 6.1/PG 3
HS 번호: 2921420090
risk_code: 25-41-43
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도3-Iodo-4-methylaniline is used as fine chemicals, pharmaceutical intermediates. 2-[((3-iodo-4-methyl)phenylimino)methyl]-5-nitrothiophene was derived from 5-nitro-2-thiophene-carboxaldehyde and 3-iodo-4-methylaniline. 1-(3-iodo-4-methylphenyl)-3-tert-butyl-2H-aminopyrazole (5), prepared from 3-iodo-4-methylaniline.