2-메틸-4-니트로벤조니트릴98

2-메틸-4-니트로벤조니트릴98 · 4-Cyano-3-methylnitrobenzene · 2-Methyl-4-nitrobenzenenitrile · Benzonitrile, 2-methyl-4-nitro- · 2-METHYL-4-NITROBENZONITRILE 98 · 2-Methyl-4-nitrobenzonitrile 98% · 4-NITRO-2-METHYLPHENYLACETONITRILE

https://huagongshe.com/ko/chemical/4346367

식별자 및 물리적 특성

CAS No.	89001-53-6
분자식	C8H6N2O2
평균 분자량	162.15 g/mol
단동위원소 질량	162.04292744 g/mol
SMILES	Cc1cc([N+](=O)[O-])ccc1C#N
InChIKey	RNTFKDBRMXYEPR-UHFFFAOYSA-N
PubChem CID	4346367
ChEMBL	CHEMBL2022893
EC No.	628-087-6
DTXSID	DTXSID60402182
현지명	2-메틸-4-니트로벤조니트릴98

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	100-103 °C(lit.)
끓는 점	329.6±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	White to Light yellow to Light orange
InChI	1S/C8H6N2O2/c1-6-4-8(10(11)12)3-2-7(6)5-9/h2-4H,1H3
InChIKey	RNTFKDBRMXYEPR-UHFFFAOYSA-N
SMILES	Cc1cc(ccc1C#N)[N+]([O-])=O

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 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	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%)
수질 위해 등급(WGK)	3
관세 코드	2926907090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids