식별자 및 물리적 특성
| CAS No. | 25155-19-5 |
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| 분자식 | C10H8O3S |
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| 평균 분자량 | 208.24 g/mol |
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| 단동위원소 질량 | 208.01941512 g/mol |
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| SMILES | O=S(=O)(O)c1cccc2ccccc12 |
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| InChIKey | PSZYNBSKGUBXEH-UHFFFAOYSA-N |
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| PubChem CID | 6812 |
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| ChEMBL | CHEMBL1160029 |
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| ChEBI | CHEBI:30895 |
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| EC No. | 201-610-1 |
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| DTXSID | DTXSID7048033 |
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| 현지명 | 나프탈렌술폰산 |
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화학 및 물리적 성질
| XLogP | 1.9 |
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| 극성 표면적 | 62.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 14 |
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| 형식 전하 | 0 |
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| 복잡도 | 291 |
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| 물질 분류 | Other Classes -> NaphthalenesIndustrial compound |
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| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
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| Physical Description | Solid[Merck Index] Grey powder[Acros Organics MSDS] |
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| Ionization Efficiency | Negative1.610.5Agilent XCTElectrospray ionizationammonia (10nM) |
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| Collision Cross Section | 141.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3042394] |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 57.8% (155 of 268) of all reports.DangerH302 (39.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 268 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports. |
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| 규제 정보 | Chemical: Naphthalenesulfonic acidNaphthalenesulfonic acid: 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.1-Naphthalenesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] See Naphthalene. |
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| Hazard Classes and Categories | Acute Tox. 4 (39.9%)Skin Corr. 1B (95.6%) |
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| 유해 작용 | Dermatotoxin - Skin burns. |
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| 운송 번호(UN) | 2585 |
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| 포장분류 | III |
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| 위험 등급 | 8 |
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