基本情報
- 標準SMILES
CC(C)(C)NSc1nc2ccccc2s1- InChIKey
IUJLOAKJZQBENM-UHFFFAOYSA-N- 分子式
- C11H14N2S2
- 平均分子量
- 238.4 g/mol
- 単同位体質量
- 238.05984045
概要
rubber accelerator
名称と識別子
- 優先名称
- N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
- IUPAC
- N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
- 現地名
- N-(tert-ブチル)ベンゾチアゾール-2-スルフェンアミド
- 英語名
- N-tert-Butyl-2-benzothiazolesulfenamide
- 分子式
- C11H14N2S2
- 分子量
- 238.37
名称と別名
N-tert-Butyl-2-benzothiazolesulfenamide95-31-8Nocceler NSVulkacit NZPennac TbbsAccel BNS2-(TERT-BUTYLAMINOTHIO)BENZOTHIAZOLEVanax NS2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-2-Benzothiazolesulfenamide, N-tert-butyl-Benzothiazolyl-2-tert-butylsulfenamideN-tert-Butyl-2-benzothiazylsulfenamide
名称をさらに表示
N-tert-ブチルベンゾチアゾール-2-スルフェンアミドノクセラーNS2-[(tert-ブチルアミノ)チオ]ベンゾチアゾールN-tert-ブチル-2-ベンゾチアゾールスルフェンアミドサントキュアNSN-(tert-ブチル)-2-ベンゾチアゾールスルフェンアミドノッセラーNSN-(tert-ブチル)ベンゾチアゾール-2-スルフェンアミド2-[(tert-ブチル)スルフェナモイル]ベンゾチアゾールN-(ターシャリ-ブチル)-2-ベンゾチアゾールスルフェンアミド2-(tert-ブチルアミノチオ)ベンゾチアゾールＮ（ｔブチル）２ベンゾチアゾリルスルフェンアミドN-（1，3-ベンゾチアゾール-2-イルスルファニル）-tert-ブチルアミン加速剤BBTS STANDARDN-(2-ベンゾチアゾリルチオ)-tert-ブチルアミン(1,3-ベンゾチアゾール-2-イルスルファニル)(tert-ブチル)アミン3,7-ビス({5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド})-5λ4-フェノチアジン-5-イリウム3,7-ビス[[5-[(3aS,3aβ,6aβ)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-イル]-1-オキソペンチル]アミノ]フェノチアジン-5-イウムTBBSBBTSNTBBTSaccelbnsDelac NSSoxinolNSpennactbbs
Santocure NS vulcanization acceleratorDTXSID7026572N-tert-Butyl-2-benzothiazolyl sulfenamideW468IFJ99CNSC-84176DTXCID506572RefChem:823300N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
データベース識別子
- CAS
95-31-8- PubChem CID
- 7230
- DTXSID
DTXSID7026572- ChEMBL
CHEMBL3182037- UNII
- W468IFJ99C
- EC Number
- 202-409-1
- Nikkaji
- J21.264D
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 78.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 215
実験および物理化学的性質
PolymersPlastics & Rubber -> Rubber Additives
Density1.29 @ 25 °C
Color/FormLIGHT BUFF POWDER OR FLAKES; SOMETIMES COLORED BLUE
SolubilitySOL IN MOST ORG SOLVENTS
Melting Point104 °C (MIN)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Dry Powder; Large Crystals; Large Crystals; Dry Powder; Other Solid
Light beige solid; Sometimes blue; [HSDB] Light buff to tan powder; [MSDSonline]
物理化学的性質
- 融点
- 105 °C · 105°C
- 沸点
- 344.1 · 344.1±25.0 °C(Predicted)
- 比重(密度)
- 1 · 1,29 g/cm3
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.55 · 1.5500 (estimate)
- 闪点
- 165 °C · 165°C
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 1.25 · 1.25±0.70(Predicted)
- 水溶解度
- 1.74 mg/L · 1.74mg/L at 20℃
- BRN
- 158370 · 158370
- InChI
- InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
- InChIKey
- IUJLOAKJZQBENM-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC=C2N=C1SNC(C)(C)C
- LogP
- 3.36 at · 3.36 at 25℃
- CAS データベース
- 95 · 95-31-8(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2-Benzothiazolesulfenamide, n-(1,1-dimethylethyl)-(95-31-8)
- EPAの化学物質情報
- -2 · N-tert-Butyl-2-benzothiazolesulfenamide (95-31-8)
安全と法規制
GHS分類
GHS Classification
Warning
H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 244 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
危険有害性情報
Regulatory Information
Chemical: 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-tert-butylbenzothiazole-2-sulphenamide (EC: 202-409-1)
N-tert-butyl-2-benzothiazolesulfenamide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: Human health tier I assessment
Hazards Summary
High dose oral studies with rats showed effects on the liver, kidneys, and erythrocytes (hemolysis); The LOAEL for anemia was 40 mg/kg/day by gavage; Mild irritation to skin and eyes was observed in rabbit studies; A product of hydrolysis, mercaptobenzothiazole, is a potent skin sensitizer; [eChemPortal: SIDSUNEP] A mild irritant; May cause skin sensitization; [MSDSonline] See Mercaptobenzothiazole.
Hazard Classes and Categories
Skin Sens. 1A (99.6%)
Skin sensitization - Category 1
Skin sensitization - Category 1
安全と保護具
Disposal Methods
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.
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
安全データ
- tsca
- TSCA listed
- rtecs
- DL6200000
- ridadr
- 3077
- PRTR法
- 第1種指定化学物質
- hs_code
- 29342000
- risk_code
- 43-53
- 化審法
- 一般化学物質
- safety_code
- 36-45-61-37-24
- hazard_class
- 9
- packing_group
- III
- 有毒物質データの
- 95-31-8(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as an accelerator for natural and synthetic isoprene rubbers and butadiene rubbers; [HSDB]
RUBBER ACCELERATOR
ACCELERATOR FOR NATURAL & SYNTHETIC ISOPRENE RUBBERS
ACCELERATOR FOR BUTADIENE RUBBERS, EG, STYRENE-BUTADIENE
U.S. Imports(1979) 5.40X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
2023: 7,000,000 - <8,500,000 lb
(1979) PROBABLY GREATER THAN 1.36X10+6 GRAMS
(1981) PROBABLY GREATER THAN 9.08X10+5 GRAMS
>45,000 kg in 1977
Consumer UsesPolymerization promoter
Industry UsesOther
Methods of ManufacturingOXIDATIVE COUPLING OF 2-MERCAPTOBENZOTHIAZOLE & T-BUTYLAMINE USING EITHER SODIUM HYPOCHLORITE OR CHLORINE GAS & AIR
General Manufacturing Information
Rubber Product Manufacturing
2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: ACTIVE
応用分野
説明N-tert-Butyl-2-benzothiazolesulfenamide (TBBS) is one of the essential kinds of sulfenamide vulcanization accelerator, have anti-incipient scorch and the large advantage of vulcanization rate fast two concurrently for natural rubber, styrene-butadiene rubber(SBR), cis-1,4-polybutadiene rubber, in polyisoprene rubber, be particularly useful for the furnace treated black sizing material that alkalescence is higher, variable color and pollution are slight, the alternative NOBS(N-morpholinyl benzothiaolesulfenamide having carinogenicity possible containing secondary amine), the NOBS of tire industry is replaced with CBS (CZ) or TBBS in l994 law-making stipulation by Germany.
使用N-tert-Butyl-2-benzothiazolesulfenamide is used as an accelerator for natural and synthetic isoprene and butadiene rubbers.
上流・下流製品情報
上流原料
サプライヤー50 社
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