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살리실알독심

Salicylaldehyde oxime

HCID 7200
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인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
94-67-7
표준 SMILES
ON=Cc1ccccc1O
InChIKey
ORIHZIZPTZTNCU-UHFFFAOYSA-N
분자식
C7H7NO2
평균 분자량
137.14 g/mol
단동위원소 질량
137.04767846

이름 및 식별자

우선 이름
Salicylaldehyde oxime
IUPAC
2-(hydroxyiminomethyl)phenol
현지명
살리실알독심
영어명
Salicylaldoxime
분자식
C7H7NO2
분자량
137.14

이름 및 동의어

Salicylaldehyde oximeDTXSID9052638RefChem:884389DTXCID00312112-(hydroxyiminomethyl)phenolo-hydroxyphenylnitroneSalicylideneaminoalcohol2-hydroxybenzaldehyde-oximeSCHEMBL133729benzaldehyde oxime, 2-hydroxy-SCHEMBL2596948SCHEMBL2596949
이름 더 보기
살리실알독심살리실알콕시(E)-2-hydroxybenzaldehyde oxiMeicyLdoximeSaldoxSal-dox2-(βSalicyladoximeSALICYLALDOXIMESalicyladoximeGrSALICYLADOXIME AR
SCHEMBL2966237SCHEMBL4232045SCHEMBL5348198SCHEMBL30251630AKOS025243587FS11888DB-057519NS00041063

데이터베이스 식별자

CAS
94-67-7
PubChem CID
7200
DTXSID
DTXSID9052638
EC Number
202-353-8

물성

구조 계산 물성

XLogP
1.5
극성 표면적
52.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
125

물리화학적 성질

녹는점
57 · 57-59 °C 59-61 °C (lit.)
끓는 점
251.96 °C · 251.96°C (rough estimate)
밀도
1.2528 · 1.2528 (rough estimate)
굴절률
1.503 · 1.5030 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
물에 거의 용해되지 않으며 에탄올, 디에틸 에테르, 아세톤, 벤젠에 용해됩니다.
물리적 상태
가루
산도 계수 (pKa)
1 · pK1:1.37(+1);pK2:9.18;pK3:12.11 (25°C)
색상
보르도에서 보라색-빨간색까지
냄새
냄새 없는
수용성
물에 약간 용해됨
Merck
14 · 14,8327
BRN
1859881 · 1859881
InChI
1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+
InChIKey
ORIHZIZPTZTNCU-VMPITWQZSA-N
SMILES
O\N=C\c1ccccc1O
NIST
2 · Benzaldehyde, 2-hydroxy-, oxime(94-67-7)
EPA
2 · Benzaldehyde, 2-hydroxy-, oxime (94-67-7)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VN5775000
HS 번호
29280000
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36
위험 등급
IRRITANT
기존화학 물질
KE-20348
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Salicylaldoxime reacts with several metal ions to give intensively coloured complexes which are insoluble in water. The structure of the copper(II), nickel(II) and palladium(II) complexes is shown in Fig. 14 (structure I), and that of the manganese(II), iron(II), cobalt(II) and zinc(II) complexes in Fig. 14 (structure II). The copper(Il) and palladium(II) salicylaldoxime complexes are of importance from an analytical point of view. The complexes precipitated from aqueous media are easily filterable and washable and are weighed after drying at 100°C. The precipitates are of stoichiometric composition. The outstanding stabilities of the copper(II) and palladium(II) complexes make the reagent suitable for the selective determination of these metal ions. These two complexes form quantitatively at low pH values where the complexes of other metal ions do not exist. Besides the gravimetric method, salicylaldoxime is also useful in the volumetric, amperometric and nephelometric determinations of copper and palladium. Salicylaldoxime gives a black precipitate with VOs~ in media containing sulfuric acid; this is soluble in chloroform to give an orange solution. The reaction is specific for vanadium which can thus be detected by this method in the presence of almost all other metals. In neutral medium salicylaldoxime reacts with iron(III) to give a red complex which is soluble in water. The reaction is utilized for the detection of micro amounts of iron.

상·하류 제품 정보

상류 원료

살리실 알데히드2-히드록시벤질알콜물에틸알코올염산 히드록실아민탄산나트륨(경회)

하류 제품

Ethyl 3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylate

관련 반응

145건
반응 기록 만들기
HRID 70254 반응식
HRID 70254반응물로uspto-grants-2014_09
HRID 88329 반응식
HRID 88329반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 95142 반응식
HRID 95142반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 97204 반응식
HRID 97204생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 99073 반응식
HRID 99073반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 147895 반응식
HRID 147895반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 160163 반응식
HRID 160163반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 186544 반응식
HRID 186544반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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화학적 성질

off-white to light beige crystalline powder

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1-페닐-3-(트리플루오로메틸)피라졸
3-(트리플루오로메틸)-1-페닐-1H-피라졸-4-카르보니트릴
3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
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2-Methylbenzyl alcohol
2-에톡시벤즈아미드
6-(2-하이드록시벤질아미노)-9-베타-D-리보푸라노실퓨린