2-아미노-6-클로로벤조니트릴

2-아미노-6-클로로벤조니트릴 · 0/7/75 · 6-Chloroanthranilonitrile · 6-Amino-2-chlorobenzonitrile · 2-AMINO-6-CHLOROBENZONITRILE · Benzonitrile, 2-amino-6-chloro- · 2-AMino-6-chlorobenzonitrile 96% · 6-Chloroanthranilonitrile, 3-Chloro-2-cyanoaniline

https://huagongshe.com/ko/chemical/81056

식별자 및 물리적 특성

CAS No.	6575-11-7
분자식	C7H5ClN2
평균 분자량	152.58 g/mol
단동위원소 질량	152.0141259 g/mol
SMILES	N#Cc1c(N)cccc1Cl
InChIKey	MEJVTQKBWPYBFG-UHFFFAOYSA-N
PubChem CID	81056
EC No.	229-501-4
DTXSID	DTXSID60215956
현지명	2-아미노-6-클로로벤조니트릴

화학 및 물리적 성질

XLogP	2
극성 표면적	49.8
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	160
녹는점	134-136 °C(lit.)
끓는 점	327.0±27.0 °C(Predicted)
밀도	1.33±0.1 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	0.76±0.10(Predicted)
색상	밝은 노란색에서 노란색까지
BRN	2717090
InChI	1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey	MEJVTQKBWPYBFG-UHFFFAOYSA-N
SMILES	Nc1cccc(Cl)c1C#N
NIST	6-Chloroanthranilonitrile(6575-11-7)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	DangerH301 (12.8%): Toxic if swallowed [Danger Acute toxicity, oral]H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (85.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 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. 3 (12.8%)Acute Tox. 4 (10.6%)Skin Irrit. 2 (12.8%)Skin Sens. 1 (85.1%)Eye Irrit. 2A (12.8%)STOT SE 3 (12.8%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3439
관세 코드	2926907090
위험 문구(R)	43-36/37/38-20/21/22
위험 표시	Xi,Xn
안전 문구(S)	36/37-36/37/39-26-22
포장분류	III
위험 등급	6.1