3D Mol Similar

Formamidinesulfinic acid

: IUPAC이름：amino(imino)methanesulfinic acid; CAS 레지스트리 번호: 1758-73-2; 분자 무게：108.12

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; Formamidinesulfinic acid; 1.2 동의어; Aminoiminomethanesulfinic acid, Thiourea dioxide

1.3 CAS 레지스트리 번호: 1758-73-2

1.4 CID: 61274

1.5 EINECS 번호: 224-065-1; 217-157-8

1.6 분자식: NH2C(=NH)SO2H (isomer)

1.7 Inchi: InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)

1.8 InchiKey: FYOWZTWVYZOZSI-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: C(=N)(N)S(=O)O

1.10 이성질체 SMILES: C(=N)(N)S(=O)O

2. 속성

2.1 밀도: 2.25

2.2 융해점: 126℃

2.3 비등점: 355.3 °C at 760 mmHg

2.4 굴절 인덱스: 1.805

2.5 번쩍이는 점: 168.7 °C

2.6 PSA: 106.38000

2.7 logP: 0.76730

2.8 가용성: 27g/l

2.9 PH: 4 (10g/l, H2O, 20℃)

2.10 pKa: 2.40±0.10(Predicted)

3. 보안 및 처리

3.1 위험 기호: Xn

3.2 위험 코드: R22;R36/37/38

3.3 위험 범주: 4.2

3.4 위험성 설명: H251-H302-H315-H319-H335

3.5 WGK 독일: 1

3.6 RTECS: PB0372500

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Self- heating substances and mixtures, Category 2

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

Specific target organ toxicity \u2013 repeated exposure, Category 2

Self- reactive substances and mixtures, Type G

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H252 Self-heating in large quantities; may catch fire H302 Harmful if swallowed H315 Causes skin irritation H318 Causes serious eye damage H332 Harmful if inhaled H335 May cause respiratory irritation H373 May cause damage to organs through prolonged or repeated exposure
Precautionary statement(s)
Prevention	P235 Keep cool. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P260 Do not breathe dust/fume/gas/mist/vapours/spray.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P314 Get medical advice/attention if you feel unwell.
Storage	P407 Maintain air gap between stacks or pallets. P413 Store bulk masses greater than \u2026 kg/\u2026lbs at temperatures not exceeding \u2026\u00b0C/\u2026\u00b0F. P420 Store separately. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

모두 보기

5. NMR 스펙트럼

IR : KBr disc

6. 합성 선형

1758-73-2Total: 9 합성 선형

3256-06-2

1758-73-2 347 공급자

17356-08-0

57-13-6 928 공급자

문헌:
Australian Journal of Chemistry, , vol. 66, # 3 p. 362 - 369
공장: null

17356-08-0

1758-73-2 347 공급자

문헌:
Medicinal Chemistry, , vol. 8, # 5 p. 928 - 933,6
공장: ~58%

14807-75-1 52 공급자

1758-73-2 347 공급자

문헌:
Zhurnal Organicheskoi Khimii, , vol. 3, p. 1002 - 1005,963 - 966
공장: null

모두 보기

7. 전구체 및 제품

업스트림 제품:

1147550-11-5

14807-75-1

3256-06-2

17356-08-0

10028-15-6

7732-18-5

64-19-7

67-56-1

다운스트림 제품 :

1758-74-3

57-13-6

51-17-2

1977-72-6

352-97-6

33668-52-9

1184-90-3

149-44-0

14844-07-6

1000-70-0

353-09-3

61679-84-3

614-97-1

88728-27-2

4887-82-5

57-00-1

4887-88-1

151-51-9

4887-80-3

83741-30-4

모두 보기

8. 화학 데이터 계산

분자량: 108.115g/mol
분자식: CH₄N₂O₂S
Compound Is Canonicalized: True
XLogP3-AA: -1.1
Exact Mass: 107.99934855
Monoisotopic Mass: 107.99934855
Complexity: 89.5
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 106
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYADMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQCAAAAAAAAAABAABAAIIgAAAAIGAIAgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. 질문 및 답변

Is Thiourea dioxide a reducing agent? Apr 15 2024
Introduction: ThioRea Dioxide is a powerful compound with a variety of characteristics and has important application value in the chemical field. This article focuses on the mechanism and application..
What is Thiourea Dioxide and its uses? Apr 15 2024
Introduction: ThioRea Dioxide is a powerful compound with extensive uses and has important chemical characteristics and application value. As a powerful compound, Thiorea Dioxide has important uses i..
How to prepare Thiourea Dioxide efficiently? Apr 15 2024
Introduction: ThioRea Dioxide is a powerful reducing agent with a wide range of purposes that play an important role in many chemical reactions and industrial production. This article will focus on t..
What is the new process for synthesizing Thiourea dioxide? Jan 07 2023
Background Technology Thiourea dioxide, also known as TD or Manefast, is a white odorless solid with a melting point of 126℃. It is slightly soluble in water and has a slightly acidic aqueous solutio..

10. 권장 공급업체

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Thiourea dioxide