기본 정보
- 표준 SMILES
Nc1nc2c(Cl)cccc2s1- InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N- 분자식
- C7H5ClN2S
- 평균 분자량
- 184.65 g/mol
- 단동위원소 질량
- 183.98619684
개요
2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Benzothiazolamine, 4-chloro-
- IUPAC
- 4-chloro-1,3-benzothiazol-2-amine
- 영어명
- 2-Amino-4-chlorobenzothiazole
- 분자식
- C7H5ClN2S
- 분자량
- 184.65
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
19952-47-7- PubChem CID
- 29872
- DTXSID
DTXSID0024470- ChEMBL
CHEMBL1413383- UNII
- 2PAW227HMB
- EC Number
- 243-439-5
- Nikkaji
- J24.677H
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
>27.7 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 203 · 203-205 °C (lit.)
- 끓는 점
- 344.3 · 344.3±34.0 °C(Predicted)
- 밀도
- 1.475 · 1.4750 (rough estimate)
- 굴절률
- 1.61 · 1.6100 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.14 · 2.14±0.10(Predicted)
- 색상
- 흰색에서 밝은 베이지색 또는 회색빛
- BRN
- 136784 · 136784
- InChI
- 1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
- InChIKey
- OEQQFQXMCPMEIH-UHFFFAOYSA-N
- SMILES
- Nc1nc2c(Cl)cccc2s1
- EPA
- 2 · 2-Amino-4-chlorobenzothiazole (19952-47-7)
화학적 성질
white to light beige or greyish crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
A halide- and amine-substituted aromatic compound and organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
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
- DL1225000
- HS 번호
- 29342080
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
일반 설명Cream colored crystalline solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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