Benzothiazol-2-ylamin

Benzo(d)thiazol-2-amine

HCID 8706CAS 136-95-8

Grundinformationen

Standard-SMILES
Nc1nc2ccccc2s1
InChIKey
UHGULLIUJBCTEF-UHFFFAOYSA-N
Summenformel
C7H6N2S
Durchschnittliche Molmasse
150,2 g/mol
Monoisotopische Masse
150,02516919

Überblick

2-aminobenzothiazole is an odorless gray to white powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Benzo(d)thiazol-2-amine
IUPAC
1,3-benzothiazol-2-amine
Lokaler Name
Benzothiazol-2-ylamin
Englischer Name
2-Benzothiazolamine
Summenformel
C7H6N2S
Molmasse
150.2

Namen und Synonyme

benzo[d]thiazol-2-amineBenzo(d)thiazol-2-amineRefChem:4651002-AMINOBENZOTHIAZOLE136-95-82-Benzothiazolamine1,3-Benzothiazol-2-amineBenzothiazol-2-ylamine2-AminobenzthiazoleBenzothiazole-2-ylamine102337-98-42-Benzothiazolylamine
Weitere Namen anzeigen
CERIUM(III) IONOPHORE2ABTSKA 1C18orf24MGC10200NSC 4670
Benzothiazole, 2-amino-2-Iminobenzothiazolineo-Aminobenzothiazole2-Amino-benzothiazoleUSAF XR-272(3H)-Benzothiazolimine2-amino-1,3-benzothiazol2-Amino-1,3-benzothiazole

Datenbank-Bezeichner

CAS
136-95-8
PubChem CID
8706
DTXSID
DTXSID1024467
ChEMBL
CHEMBL329785
ChEBI
CHEBI:167751
UNII
08K5TLY3EQ
EC Number
205-268-4
Nikkaji
J37.321D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
67,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Thiazoles

Dye

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density0.5 (NTP, 1992) - Less dense than water; will float
Color/Form · 2 Einträge

PLATES FROM WATER

LEAFLETS FROM WATER

Solubility · 3 Einträge

less than 1 mg/mL at 66 °F (NTP, 1992)

SLIGHTLY SOL IN WATER

SOL IN ALCOHOL, ETHER, CHLOROFORM

Boiling PointDecomposes (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
126 · 126-129 °C (lit.)
Siedepunkt
190 · 190-195 °C(Press: 0.05 Torr)
Dichte
1.2162 · 1.2162 (rough estimate)
Brechungsindex
1.55 · 1.5500 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
Soluble in alcohol, chloroform, diethyl ether.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.9% (3 of 103) of reports.

Warning

H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2-Benzothiazolamine

2-Benzothiazolamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and upper respiratory tract.
Hazards SummaryMay cause skin, eye, and respiratory tract irritation; [CAMEO] A skin and strong eye irritant; [Alfa Aesar MSDS]
Reactive GroupAmines, Phosphines, and Pyridines

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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.

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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)

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1600(SRC), determined from a structure estimation method(2), indicates that 2-aminobenzothiazole will have low mobility in soil(SRC). Volatilization of 2-aminobenzothiazole from moist soil surfaces is not expected to occur(SRC) given an estimated Henry's Law constant of 1.3X10-10 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 2-aminobenzothiazole from dry soil surfaces may not exist(SRC) based on an estimated vapor pressure of 1.1X10-4 mm Hg(SRC), determined from a fragment constant method(4).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1600(SRC), determined from a structure estimation method(2), indicates that 2-aminobenzothiazole should adsorb to suspended solids and sediment in water(SRC). 2-Aminobenzothiazole is not expected to volatilize from water surfaces(1,SRC) based on an estimated Henry's Law constant of 1.3X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). According to a classification scheme(5), an estimated BCF value of 19(1,SRC), from an estimated log Kow(4,SRC), suggests that bioconcentration in aquatic organisms is low(SRC). Biodegradation of 2-aminobenzothiazole in aquatic systems is not expected to occur(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-aminobenzothiazole, which has an estimated vapor pressure of 1.1X10-4 mm Hg at 25 °C(2,SRC), will exist solely in the vapor phase in the ambient atmosphere. Vapor-phase 2-aminobenzothiazole is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 0.64 hours(3,SRC).

Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-aminobenzothiazole can be estimated to be about 1600(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that 2-aminobenzothiazole has low mobility in soil(SRC).

Artificial Pollution Sources · 1 Eintrag

2-Aminobenzothiazole's use in azo dye production and in photographic chemicals(1) may result in its release to the environment through various waste streams(SRC). 2-Aminobenzothiazole may be introduced into soils as a result of the breakdown of the herbicide methabenzthiazuron(2).

Environmental Biodegradation · 1 Eintrag

A biodegradation study of 2-aminobenzothiazole, based on COD measurements, using an activated sludge seed, and an initial concentration of 100mg/l 2-aminobenzothiazole indicated no biodegradation of 2-aminobenzothiazole over a period of 30 days(1).

Environmental Bioconcentration · 1 Eintrag

An estimated BCF value of 19 was calculated for 2-aminobenzothiazole(SRC), using an estimated log Kow of 2.0(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for 2-aminobenzothiazole is estimated as 1.3X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-aminobenzothiazole will be essentially nonvolatile from water surfaces(2,SRC).

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29342080
RTECS-Nr.
DL1050000
risk_code
22-36

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

Used in photographic chemicals and as an azo dye intermediate; [HSDB]

Photographic Processing [Category: Other]

IN PREPN OF AZO DYES

USED AS AN AZO DYE INTERMEDIATE; PHOTOGRAPHIC CHEMICALS

Methods of Manufacturing...FROM 2-CHLOROBENZOTHIAZOLE BY TREATMENT WITH ALCOHOLIC AMMONIA AT 150-160 °C; HOFMANN, BER 12, 1129 (1880); 13, 11 (1881). FROM BENZOTHIAZOLE BY BOILING WITH HYDROXYLAMINE IN WATER OR IN 2 N SODIUM HYDROXIDE, SKRAUP, ANN 419, 65 (1919).
General Manufacturing Information2-Benzothiazolamine: ACTIVE

Anwendungen

VerwendenAn impurity of pramipexole production

Anbieter50 Anbieter

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