기본 정보
- 표준 SMILES
NC(=O)Cc1cccc2ccccc12- InChIKey
XFNJVKMNNVCYEK-UHFFFAOYSA-N- 분자식
- C12H11NO
- 평균 분자량
- 185.22 g/mol
- 단동위원소 질량
- 185.08406397
이름 및 식별자
- 우선 이름
- 1-Naphthaleneacetamide
- IUPAC
- 2-naphthalen-1-ylacetamide
- 영어명
- 1-Naphthaleneacetamide
- 분자식
- C12H11NO
- 분자량
- 185.22
이름 및 동의어
1-NAPHTHALENEACETAMIDE86-86-21-Naphthylacetamide2-(1-Naphthyl)acetamideNaphthaleneacetamide2-(naphthalen-1-yl)acetamideFrufixAmid-ThinNAAmalpha-NaphthylacetamideDirigol NAmid-Thin W
이름 더 보기
RootonedirigolnRosetoneNAI-DPACNAA Amide
alpha-NAA amidealpha-Naphthaleneacetamide1-Naphthylamine, N-acetyl-alpha-Naphthaleneacetic acid amideDTXSID302091411KAX3RJ28NSC-34862DTXCID30914
데이터베이스 식별자
- CAS
86-86-2- PubChem CID
- 6861
- DTXSID
DTXSID3020914- ChEMBL
CHEMBL3186653- ChEBI
CHEBI:81810- UNII
- 11KAX3RJ28
- EC Number
- 201-704-2
- Nikkaji
- J798F
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 214
실험 및 물리화학적 성질
Solubility0.039 mg/mL at 40 °C
Melting Point184 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 180 · 180-183 °C (lit.)
- 끓는 점
- 319.45 °C · 319.45°C (rough estimate)
- 밀도
- 1.0936 · 1.0936 (rough estimate)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 16.1 · 16.10±0.40(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 1945547 · 1945547
- Henry's Law Constant
- 9.8 · 9.8×107 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- InChI
- 1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
- InChIKey
- XFNJVKMNNVCYEK-UHFFFAOYSA-N
- SMILES
- NC(=O)Cc1cccc2ccccc12
- NIST
- 1 · 1-Naphthaleneacetamide(86-86-2)
- EPA
- 1 · 1-Naphthaleneacetamide (86-86-2)
화학적 성질
white to cream powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (27.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361d (64.8%): Suspected of damaging the unborn child [Warning Reproductive toxicity]；H412 (67.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 33/2008
2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011
1-Naphthalenacetamide: 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.
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)；Eye Dam. 1 (27.8%)；Repr. 2 (64.8%)；Aquatic Chronic 3 (67.3%)
안전 및 보호
Protective Action Criteria (PAC)
5.1 [mg/m3]
56 [mg/m3]
330 [mg/m3]
독성 정보
RAIS Toxicity Values
0.25
OPP
규제 정보
Regulatory Information
Commission Regulation (EC) No 33/2008
2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011
1-Naphthalenacetamide: 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ0590000
- HS 번호
- 29242990
- risk_code
- 22-41-34-11
- hazard_code
- Xn,C,F
- safety_code
- 26-39-24/25-45-36/37/39-16
- 기존화학 물질
- KE-25709
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
General Manufacturing Information1-Naphthaleneacetamide: ACTIVE
응용 분야
용도1-Naphthylacetamide (cas# 86-86-2) is a compound useful in organic synthesis.
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