CAS 75853-18-8 2,3-Difluorobenzyl Alcohol (HCID 447153)

이름 및 식별자

우선 이름: 2,3-Difluorobenzyl Alcohol
IUPAC: (2,3-difluorophenyl)methanol
영어명: 2,3-Difluorobenzyl alcohol
분자식: C7H6F2O
분자량: 144.12

이름 및 동의어

2,3-Difluorobenzyl alcohol75853-18-8(2,3-Difluorophenyl)methanolBenzenemethanol, 2,3-difluoro-2,3-DifluorobenzenemethanolI14VR7T96OUNII-I14VR7T96OCHEBI:41883DTXSID70332244RefChem:8164623-Difluorobenzyl alcoholDTXCID20283338

이름 더 보기

RARECHEM AL BD 02112,3-Difluorophenyl alcohol2,3-difluoro-Benzenemethanol2,3-Difluorobenzylalcohol98%2,3-Difluorobenzyl Alcohol >2,3-Difluorobenzyl alcohol,94%2,3-Difluorobenzyl alcohol 98%

625-951-4922-760-0JSFGDUIJQWWBGY-UHFFFAOYSA-NMFCD000103122,3-difluorobenzylalcohol(2,3-difluorophenyl)methan-1-olSBB0636622,3-Difluorophenylalcohol

데이터베이스 식별자

CAS: 75853-18-8
PubChem CID: 447153
DTXSID: DTXSID70332244
ChEMBL: CHEMBL1232182
ChEBI: CHEBI:41883
UNII: I14VR7T96O
EC Number: 625-951-4、922-760-0

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 101.45 °C · 101.45°C (rough estimate)
밀도: 1.282 g/mL · 1.282 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.492(lit.)
인화점: 201 °F · 201 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 13.61 · 13.61±0.10(Predicted)
Specific Gravity: 1.282 · 1.282
색상: 무색투명~엷은 갈색
수용성: 물에 약간 용해됩니다.
BRN: 7089243 · 7089243
InChI: 1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChIKey: JSFGDUIJQWWBGY-UHFFFAOYSA-N
SMILES: OCc1cccc(F)c1F
NIST: 2 · 2,3-Difluorobenzyl alcohol(75853-18-8)

화학적 성질

Clear colorless to pale brown liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 4 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)；Eye Dam. 1 (86.7%)；Eye Irrit. 2 (11.1%)

안전 데이터

wgk: 3
HS 번호: 29062990
risk_code: 41-36/37/38
hazard_code: Xi
safety_code: 26-39-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도It is used to produce 1-bromomethyl-2,3-difluoro-benzene with reagent PBr3 and solvent toluene at the temperature of 100°C for 1 hour. 2,3-Difluorobenzyl alcohol may be used in chemical synthesis studies.