기본 정보
- 표준 SMILES
Nc1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
GPNAVOJCQIEKQF-UHFFFAOYSA-N- 분자식
- C7H5N3O2S
- 평균 분자량
- 195.2 g/mol
- 단동위원소 질량
- 195.0102474
개요
2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Amino-6-nitrobenzothiazole
- IUPAC
- 6-nitro-1,3-benzothiazol-2-amine
- 현지명
- 2-아미노-6-나이트로벤조싸이아졸
- 영어명
- 2-Amino-6-nitrobenzothiazole
- 분자식
- C7H5N3O2S
- 분자량
- 195.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6285-57-0- PubChem CID
- 22704
- DTXSID
DTXSID3024491- ChEMBL
CHEMBL318275- UNII
- 4321510DG9
- EC Number
- 228-513-7
- Nikkaji
- J37.325G
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 220
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 247 · 247-249 °C (lit.)
- 끓는 점
- 411.7 · 411.7±37.0 °C(Predicted)
- 밀도
- 1.4666 · 1.4666 (rough estimate)
- 굴절률
- 1.674 · 1.6740 (estimate)
- 저장 조건
- 2 · 2-8°C, protect from light
- 산도 계수 (pKa)
- 1.76 · 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 · 2-Amino-6-nitrobenzothiazole (6285-57-0)
화학적 성질
yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (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.
유해성 정보
안전 및 보호
First Aid
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.
Nonfire Spill Response
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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DL0865000
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 29342080
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-01512
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도2-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 설명Orange crystals or yellow powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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