6-Nitro-2-toluonitrile

6-NITRO-O-TOLUNITRILE · 6-nitro-2-toluonitrile · 2-Methyl-6-nitrobenzonitrile · Benzonitrile, 2-methyl-6-nitro- · 2-Methyl-6-nitrobenzonitrile>2-Methyl-6-nitrobenzonitrile 98% · 2-methyl-6-nitro-benzenecarbonitrile · 2-methyl-6-nitrobenzene-1-carbonitrile · 2-methyl-6-nitrobenzonitrile(SALTDATA: FREE)

https://huagongshe.com/ko/chemical/74669

식별자 및 물리적 특성

CAS No.	1885-76-3
분자식	C8H6N2O2
평균 분자량	162.15 g/mol
단동위원소 질량	162.04292743 g/mol
SMILES	Cc1cccc([N+](=O)[O-])c1C#N
InChIKey	BOTPDHNZLRJZOO-UHFFFAOYSA-N
PubChem CID	74669
EC No.	217-553-0
DTXSID	DTXSID90172205

화학 및 물리적 성질

XLogP	1.8
극성 표면적	69.6
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	225
녹는점	108-110 °C (lit.)
끓는 점	326.2±30.0 °C(Predicted)
밀도	1.26±0.1 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to crystal
색상	Light orange to Yellow to Green
InChI	1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChIKey	BOTPDHNZLRJZOO-UHFFFAOYSA-N
SMILES	Cc1cccc(c1C#N)[N+]([O-])=O

안전 및 규제

GHS 분류	WarningH302 (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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
관세 코드	2926907090
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn
안전 문구(S)	26-36
위험 등급	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-Methyl-6-nitrobenzonitrile was used in the synthesis of 5-arylthiomethyl-2,4-diaminoquinazolines. It was also used as starting reagent in the microwave assisted synthesis of 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one.