Basic information
- CAS
38894-11-0- Standard SMILES
Cl.Cn1/c(=N/N)sc2ccccc21.O- InChIKey
IYXXQOGEFHAQGU-GPWRMYTLSA-N- Molecular formula
- C8H12ClN3OS
- Average molar mass
- 233.72 g/mol
- Monoisotopic mass
- 233.0389609
Names & identifiers
- Preferred name
- 3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
- IUPAC
- (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride
- English name
- 3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
- Molecular formula
- C8H9N3S.ClH.H2O
- Molecular weight
- 233.72
Names & synonyms
38894-11-03-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrateRefChem:503648684-573-8Beth hydrochloride hydrate2-Hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride hydrateMBTH hydrochlorideBeth HCl hydrateSawicki's ReagentMFCD001493703-Methyl-2-benzothiazolinone hydrazone hydrochloride hydrate2-Hydrazono-3-methylbenzothiazoline hydrochloride
Show more names
MBTH97.5-102.5%MBTH.HCl.H2OMBTH, GR, 98%-2-benzothiazoLMBTH HCL HYDRATEMBTH MONOHYDRATETIMTEC-BB SBB000722
850736-31-13-Methyl-2-benzothiazolinone hydrazone hydrochloride hydrate(1:1:x)3CHJ2TTY783-Methyl-2-benzothiazolinone hydrazone hydrochloride xhydrate3-Methyl-2-benzothiazolone hydrazone hydrochloride monohydrate(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride3-Methyl-2-benzothialinone2(3H)-Benzothiazolone, 3-methyl-, hydrazone, hydrochloride, hydrate (1:1:1), (2Z)-
Properties
Computed structural properties
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 276 · 276-278 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder and/or Chunks
- color
- White
- Water Solubility
- Soluble in water.
- BRN
- 4722243 · 4722243
- Stability
- Hygroscopic
- InChI
- InChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8+;;
- InChIKey
- IYXXQOGEFHAQGU-PIHABLKOSA-N
- SMILES
- CN1/C(/SC2C=CC=CC1=2)=N\N.Cl.O
- CAS DataBase Reference
- 38894 · 38894-11-0(CAS DataBase Reference)
- FDA UNII
- 3 CHJ2TTY78 · 3CHJ2TTY78
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (75%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- DL7160200
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29342000
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45-36-26
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
Chemistry & industry
Applications
Description3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate may contain free HCl. It is a reagent for the spectrophotometric determination of aliphatic aldehydes and traces of selenium (IV) in environmental samples. It can also be used to determine hexosamines in glycosaminoglycans. Additionally, it is helpful to study the effects of various hormones and neurotransmitters. Furthermore, this compound has been found to have a variety of effects on the cardiovascular system, the nervous system, and the immune system.
UsesIt is used as a reagent for the spectrophotometric determination of aliphatic aldehydes and for the determination of hexosamines in glycosaminoglycans. It is Incorporated into a new peroxidase color reaction. It is also a reagent for the spectrophotometric determination of traces of selenium (IV) in environmental samples.
Uses3-Methyl-2-benzothiazolinone hydrazine (MBTH) can be used as a reagent for the spectrophotometric determination of traces of selenium, tellurium, and cyanide in environmental samples.
General Descriptionmay contain free HCl
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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