2-아미노-6-나이트로벤조싸이아졸

2-아미노-6-나이트로벤조싸이아졸 · 2-아미노-6-니트로벤조티아졸 · 6-Nitrobenzo[d]thiazol-2-amine · 2-Amino-6-nitrobenzothiazol · IFLAB-BB F1386-0392 · LABOTEST-BB LT00454107 · 6-nitro-2-benzothiazolamin · 6-NITRO-2-BENZOTHIAZOLAMINE

https://huagongshe.com/ko/chemical/22704

식별자 및 물리적 특성

CAS No.	6285-57-0
분자식	C7H5N3O2S
평균 분자량	195.2 g/mol
단동위원소 질량	195.0102474 g/mol
SMILES	Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIKey	GPNAVOJCQIEKQF-UHFFFAOYSA-N
PubChem CID	22704
ChEMBL	CHEMBL318275
EC No.	228-513-7
DTXSID	DTXSID3024491
현지명	2-아미노-6-나이트로벤조싸이아졸

화학 및 물리적 성질

XLogP	2.1
극성 표면적	113
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	220
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)
녹는점	477 to 480 °F (NTP, 1992)247-249 °C (lit.)
Physical Description	2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992)
Collision Cross Section	131.3 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3024491]
끓는 점	411.7±37.0 °C(Predicted)
밀도	1.4666 (rough estimate)
굴절률	1.6740 (estimate)
저장 조건	2-8°C, protect from light
pKa(산도 계수)	1.76±0.10(Predicted)
InChI	1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
InChIKey	GPNAVOJCQIEKQF-UHFFFAOYSA-N
SMILES	Nc1nc2ccc(cc2s1)[N+]([O-])=O
EPA	2-Amino-6-nitrobenzothiazole (6285-57-0)

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류	WarningH302 (97.8%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this compound are not availablehowever, it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
반응성 그룹	Amines, Phosphines, and Pyridines
Reactivity Profile	2-AMINO-6-NITROBENZOTHIAZOLE is incompatible with strong oxidizing agents and strong acids. (NTP, 1992)
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (97.8%)
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

용도

2-Amino-6-nitrobenzothiazole has been used:as model analyte for voltammetric determination of electrochemically reducible organic substancesin the synthesis of 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid[2-(cyclohexanecarbonylamino)benzothiazol-6-yl]amide derivativesin the preparation of push-pull nonlinear optical chromophores containing thiazole and benzothiazole acceptorsas a base in dye production by diazotation reaction

일반 설명

Orange crystals or yellow powder.