4-포르밀페닐보론산

4-Formylphenylboronic Acid

HCID 591073CAS 87199-17-5

기본 정보

표준 SMILES
O=Cc1ccc(B(O)O)cc1
InChIKey
VXWBQOJISHAKKM-UHFFFAOYSA-N
분자식
C7H7BO3
평균 분자량
149.94 g/mol
단동위원소 질량
150.04882448

개요

structure in first source

이름 및 식별자

우선 이름
4-Formylphenylboronic Acid
IUPAC
(4-formylphenyl)boronic acid
현지명
4-포르밀페닐보론산
영어명
4-Formylphenylboronic acid
분자식
C7H7BO3
분자량
149.94

이름 및 동의어

4-Formylphenylboronic acid87199-17-5Boronic acid, B-(4-formylphenyl)-p-formylphenylboronic acidZ4V1TO2DWRDTXSID6074887RefChem:570135DTXCID3048570438-670-5(4-formylphenyl)boronic acid4-Formylbenzeneboronic acidBoronic acid, (4-formylphenyl)-
이름 더 보기
4-포르밀페닐보론산FPBAFormylphenylboronic acidp-Formylbenzeneboronic acidAKOS BRN-0111TIMTEC-BB SBB004077RARECHEM AH PB 01934-Formylphenylboroni4-Formylboronic acid
MFCD001518234-formylphenyl boronic acidCHEMBL1402544-Boronobenzaldehyde4-Formylphenylboronicacid4-formyl-phenylboronic acid4-(Dihydroxyboranyl)Benzaldehyde4-formylphenylborate

데이터베이스 식별자

CAS
87199-17-5
PubChem CID
591073
DTXSID
DTXSID6074887
ChEMBL
CHEMBL140254
UNII
Z4V1TO2DWR
EC Number
438-670-5、617-982-7
Nikkaji
J565.950G

물성

구조 계산 물성

극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

녹는점
237 · 237-242 °C (lit.)
끓는 점
347.6 · 347.6±44.0 °C(Predicted)
밀도
1.24 · 1.24±0.1 g/cm3(Predicted)
증기압
0 Pa · 0Pa at 25℃
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
10 g/L · <10g/L

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

H314 (66.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: 4-Formylphenylboronic Acid

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/8924

4-formylphenylboronic 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.

Hazard Classes and Categories · 4건

Skin Sens. 1 (100%)

Skin Corr. 1B (66.9%)

Skin sensitisation - category 1

Skin Sens. 1

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1759 8/PG 3
HS 번호
29163990
risk_code
34-36/37/38
hazard_code
C,Xi

화학 및 산업

용도 및 제조

Household ProductsInformation on 7 consumer products that contain 4-formylphenylboronic acid in the following categories is provided:
General Manufacturing InformationBoronic acid, B-(4-formylphenyl)-: ACTIVE
응용 분야 · 1건

용도4-Formylphenylboronic acid is a substrate for Suzuki cross-coupling reactions and it can be used as a reagent for:Palladium-catalyzed Suzuki-Miyaura cross-coupling in water. Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides. Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids. Triethylamine-catalyzed three-component Hantzsch condensations. Copper-catalyzed nitrations. Oxidative mono-cleavage of dialkenes catalyzed by Trametes hirsuta. Palladacycle-catalyzed cross-coupling of arylboronic acids with carboxylic anhydrides or acyl chlorides. Palladium-catalyzed aerobic oxidative cross-coupling reactions. The synthesis of sensitizers with dithiafulvenyl unit as electron donor for high-efficiency dye-sensitized solar cells.The synthesis of a novel protein synthesis inhibitor active against Gram-positive bacteria.The Suzuki aryl-aryl coupling of the upper rim of hexahomotrioxacalix[3]arene.A rhodium-catalyzed cyclization, converting 1,5-enynes to cyclopentenes and spiro-cyclopentenes.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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