4-Iodo-o-toluidine

2-AMINO-5-IODOTOLUENE · AURORA 1126 · 4-Iodo-2-methyL · BUTTPARK 24\04-61 · AKOS BBS-00007953 · 4-iodo-2-methylanil · 4-Iodo-o-toluidine · 4-Iodo-2-Methylalinine

https://huagongshe.com/ko/chemical/83221

식별자 및 물리적 특성

CAS No.	13194-68-8
분자식	C7H8IN
평균 분자량	233.05 g/mol
단동위원소 질량	232.97015 g/mol
SMILES	Cc1cc(I)ccc1N
InChIKey	BGKLFAQCHHCZRZ-UHFFFAOYSA-N
PubChem CID	83221
EC No.	236-154-2
DTXSID	DTXSID50157270

화학 및 물리적 성질

XLogP	2
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	94
녹는점	86-89 °C (lit.)
끓는 점	278.4±28.0 °C(Predicted)
밀도	1.791±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
pKa(산도 계수)	3.66±0.10(Predicted)
색상	Purple to Dark purple to Dark red
BRN	2353618
InChI	InChI=1S/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey	BGKLFAQCHHCZRZ-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(I)C=C1C

화학적 성질

Grey to purple crystals

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (96.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (98.3%)Eye Irrit. 2 (98.3%)STOT SE 3 (96.6%)
수질 위해 등급(WGK)	3
운송 번호(UN)	2811
관세 코드	29214300
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-36-26,36/37/39
포장분류	III
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
위험 참고 사항	Irritant

용도

4-IODO-2-METHYLANILINE serves as a starting material for synthesizing 2,8-difluoro-4,10-dimethyl-6H,12H-5,11-methanodibenzo[b,f]diazocine via reaction with paraformaldehyde, and is employed in various other synthetic routes[3][4].